Structural trends in a series of bulky di­alkyl­biaryl­phosphane com­plexes of Cu^I

Cu^I com­plexes containing the bulky di­alkyl­biaryl­phosphane 2-(di-tert-butyl­phosphan­yl)-2′,4′,6′-triiso­propyl­biphenyl (^tBuXPhos, L) and an ancillary ligand (Cl⁻, Br⁻, I⁻, MeCN, ClO₄⁻ or SCN⁻) have been structurally characterized, namely, chlorido­[2-(di-tert-butyl­phosphan­yl)-2′,4′,6′-triiso­propyl­biphenyl-κP]cop­per(I), [CuCl(C₂₉H₄₅P)], 1, bromido­[2-(di-tert-butyl­phosphan­yl)-2′,4′,6′-triiso­propyl­biphenyl-κP]copper(I), [CuBr(C₂₉H₄₅P)], 2, [2-(di-tert-butyl­phosphan­yl)-2′,4′,6′-triiso­propyl­biphenyl-κP]iodido­copper(I), [CuI(C₂₉H₄₅P)], 3, (aceto­nitrile-κN)[2-(di-tert-butyl­phosphan­yl)-2′,4′,6′-triiso­propyl­biphenyl-κP]copper(I) hexa­fluor­ido­phosphate, [Cu(CH₃CN)(C₂₉H₄₅P)]PF₆, 4, [2-(di-tert-butyl­phosphan­yl)-2′,4′,6′-triiso­propyl­biphenyl-κP](perchlorato-κO)copper(I), [Cu(ClO₄)(C₂₉H₄₅P)], 5, and di-μ-thio­cyanato-κ²S:N;κ²N:S-bis­{[2-(di-tert-butyl­phosphan­yl)-2′,4′,6′-tri­iso­­propyl­biphenyl-κP]copper(I)}, [Cu₂(NCS)₂(C₂₉H₄₅P)₂], 6. Iodide com­plex 3 shows significant Cu^I–arene inter­actions, in contrast to its chloride 1 and bromide 2 counterparts, which is attributed to the weaker inter­action between the iodide ion and the Cu^I centre. When replacing iodide with an aceto­nitrile (in 4) or perchlorate (in 5) ligand, the reduced inter­action between the Cu^I atom and the ancillary ligand results in stronger Cu^I–arene inter­actions. No Cu^I–arene inter­actions are observed in dimer 6, due to the tricoordinated Cu^I centre having sufficient electron density from the coordinated ligands.

Computing details

Data collection: CrystalClear-SM Expert (Rigaku, 2011) and PROCESS_AUTO (Rigaku, 1998) for c1, c5, c6; APEX3 (Bruker, 2019) for C3, c4. Cell refinement: CrystalClear-SM Expert (Rigaku, 2011) and PROCESS_AUTO (Rigaku, 1998) for c1, c5, c6; SAINT (Bruker, 2019) for C3, c4. Data reduction: CrystalClear-SM Expert (Rigaku, 2011) and PROCESS_AUTO (Rigaku, 1998) for c1, c5, c6; SAINT (Bruker, 2019) for C3, c4. Program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007) for c1, c6; SHELXT2018 (Sheldrick, 2015a) for C2, C3, c4; olex2.solve (Bourhis et al., 2015) for c5. Program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015b) for c1, c4, c5, c6; olex2.refine (Bourhis et al., 2015) for C2; SHELXL (Sheldrick, 2008) for C3. For all structures, molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Chlorido[2-(di-tert-butylphosphanyl)-2',4',6'-triisopropylbiphenyl-κP]copper(I) (c1)

Crystal data

[CuCl(C29H45P)]	F(000) = 3360
Mr = 523.61	Dx = 1.235 Mg m^−3
Monoclinic, P21/c	Cu Kα radiation, λ = 1.54187 Å
a = 18.6214 (3) Å	Cell parameters from 53625 reflections
b = 25.5724 (5) Å	θ = 2.5–72.2°
c = 19.0631 (13) Å	µ = 2.59 mm^−1
β = 111.476 (8)°	T = 130 K
V = 8447.5 (7) Å^3	Platelet, colorless
Z = 12	0.6 × 0.18 × 0.1 mm

Data collection

Rigaku R-AXIS conversion diffractometer	11714 reflections with I > 2σ(I)
Detector resolution: 10.0000 pixels mm^-1	Rint = 0.045
profile data from ω–scans	θmax = 68.3°, θmin = 5.0°
Absorption correction: multi-scan (SADABS; Bruker, 2016)	h = −21→22
Tmin = 0.652, Tmax = 1.000	k = −24→30
83725 measured reflections	l = −22→22
15242 independent reflections

Refinement

Refinement on F^2	12 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.043	H-atom parameters constrained
wR(F^2) = 0.122	w = 1/[σ^2(Fo^2) + (0.0514P)^2 + 3.4554P] where P = (Fo^2 + 2Fc^2)/3
S = 1.14	(Δ/σ)max = 0.001
15242 reflections	Δρmax = 0.54 e Å^−3
913 parameters	Δρmin = −0.52 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. X-ray data for complexes 1, 5 and 6 were collected at low temperature with a Rigaku Spider diffractometer equipped with a copper rotating anode X-ray source, using graphite monochromated Cu Kα (λ = 1.54187), and a curved image plate detector. Crystals were mounted on MiTeGen mylar loops using Fomblin Y. Data was collected using CrystalClear 1.4.0 and processed using FS PROCESS (Rigaku, 1998, 2011). Complexes 1 and 6 were solved by SUPERFLIP, complex 5 was solved with olex2.solve and all were refined using olex2.refine in OLEX2 (Palatinus & Chapuis, 2007; Dolomanov et al., 2009).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cu1	0.17913 (2)	−0.08590 (2)	0.31557 (2)	0.02483 (10)
Cl1	0.18075 (3)	−0.12141 (3)	0.21567 (3)	0.03021 (16)
P1	0.14453 (3)	−0.06683 (3)	0.40988 (3)	0.01947 (14)
C1	0.21078 (13)	−0.02285 (9)	0.48029 (12)	0.0198 (5)
C6	0.18970 (13)	−0.00371 (10)	0.53880 (12)	0.0219 (5)
H6	0.144805	−0.016110	0.543662	0.026*
C5	0.23353 (13)	0.03301 (10)	0.58949 (13)	0.0239 (5)
H5	0.218672	0.044850	0.628282	0.029*
C4	0.30016 (14)	0.05206 (10)	0.58180 (13)	0.0260 (6)
H4	0.329342	0.077687	0.614488	0.031*
C3	0.32287 (14)	0.03285 (10)	0.52554 (13)	0.0244 (6)
H3	0.367992	0.045542	0.521480	0.029*
C2	0.28021 (13)	−0.00512 (10)	0.47439 (12)	0.0204 (5)
C7	0.31303 (12)	−0.02487 (9)	0.41750 (12)	0.0194 (5)
C8	0.29357 (13)	−0.00070 (10)	0.34662 (13)	0.0213 (5)
C9	0.32780 (13)	−0.01896 (10)	0.29708 (13)	0.0224 (5)
H9	0.314377	−0.003194	0.250049	0.027*
C10	0.38059 (13)	−0.05933 (10)	0.31492 (13)	0.0229 (5)
C11	0.40121 (14)	−0.08112 (10)	0.38631 (14)	0.0277 (6)
H11	0.437555	−0.107882	0.399787	0.033*
C12	0.36992 (14)	−0.06468 (10)	0.43847 (13)	0.0252 (6)
C22	0.04668 (13)	−0.03384 (10)	0.37433 (13)	0.0232 (5)
C23	0.05725 (14)	0.02550 (10)	0.37331 (15)	0.0307 (6)
H23D	0.079796	0.038202	0.424105	0.046*
H23E	0.007981	0.041841	0.348647	0.046*
H23F	0.090605	0.033660	0.346551	0.046*
C24	−0.00632 (15)	−0.04571 (11)	0.41843 (15)	0.0317 (6)
H24D	−0.017271	−0.082493	0.415986	0.048*
H24E	−0.053675	−0.026570	0.396637	0.048*
H24F	0.019022	−0.035455	0.470111	0.048*
C25	0.00505 (14)	−0.05190 (11)	0.29264 (13)	0.0300 (6)
H25D	0.034629	−0.041800	0.262844	0.045*
H25E	−0.045037	−0.035945	0.272522	0.045*
H25F	−0.000470	−0.089246	0.291448	0.045*
C26	0.14175 (16)	−0.12987 (10)	0.45973 (14)	0.0303 (6)
C29	0.22182 (18)	−0.15355 (12)	0.47820 (17)	0.0457 (8)
H29D	0.233323	−0.155485	0.433120	0.069*
H29E	0.222966	−0.188045	0.498455	0.069*
H29F	0.259528	−0.132018	0.514633	0.069*
C28	0.08247 (18)	−0.16648 (11)	0.40380 (16)	0.0434 (8)
H28D	0.031585	−0.152272	0.391372	0.065*
H28E	0.084962	−0.200331	0.426343	0.065*
H28F	0.093894	−0.169669	0.358792	0.065*
C27	0.12589 (18)	−0.12629 (11)	0.53311 (15)	0.0387 (7)
H27D	0.164290	−0.104591	0.568534	0.058*
H27E	0.127743	−0.160659	0.553974	0.058*
H27F	0.075732	−0.111391	0.522743	0.058*
C13	0.24272 (14)	0.04751 (10)	0.32532 (14)	0.0270 (6)
H13	0.216291	0.050790	0.361097	0.032*
C15	0.29262 (17)	0.09623 (11)	0.33293 (17)	0.0413 (7)
H15D	0.320176	0.093543	0.299243	0.062*
H15E	0.328743	0.099033	0.383842	0.062*
H15F	0.260268	0.126694	0.320474	0.062*
C14	0.18093 (15)	0.04402 (11)	0.24577 (14)	0.0330 (7)
H14D	0.149053	0.074706	0.235838	0.049*
H14E	0.149619	0.013577	0.242212	0.049*
H14F	0.205440	0.041598	0.209495	0.049*
C16	0.41475 (14)	−0.07871 (11)	0.25865 (14)	0.0267 (6)
H16	0.392230	−0.058095	0.212397	0.032*
C18	0.50228 (14)	−0.07075 (11)	0.28839 (15)	0.0335 (7)
H18D	0.525612	−0.090412	0.334024	0.050*
H18E	0.513824	−0.034299	0.298475	0.050*
H18F	0.522293	−0.082536	0.251339	0.050*
C17	0.39541 (16)	−0.13587 (12)	0.23877 (17)	0.0441 (8)
H17D	0.419931	−0.157101	0.282580	0.066*
H17E	0.413569	−0.145946	0.199649	0.066*
H17F	0.340529	−0.140652	0.221529	0.066*
C19	0.40348 (15)	−0.08614 (11)	0.51847 (14)	0.0323 (7)
H19	0.367152	−0.078014	0.543341	0.039*
C21	0.47970 (16)	−0.05864 (14)	0.56228 (15)	0.0485 (9)
H21D	0.500775	−0.072524	0.612507	0.073*
H21E	0.470731	−0.021815	0.564484	0.073*
H21F	0.515457	−0.064318	0.537362	0.073*
C20	0.41541 (18)	−0.14544 (12)	0.52183 (17)	0.0512 (9)
H20D	0.369620	−0.162154	0.488098	0.077*
H20E	0.425903	−0.157498	0.572307	0.077*
H20F	0.458181	−0.153864	0.507183	0.077*
Cu1B	0.16221 (2)	0.24181 (2)	0.31718 (2)	0.02564 (11)
Cl1B	0.15588 (4)	0.20587 (3)	0.21471 (3)	0.03054 (16)
P1B	0.13004 (3)	0.26371 (2)	0.41201 (3)	0.01934 (14)
C1B	0.19579 (13)	0.30844 (9)	0.48137 (12)	0.0197 (5)
C6B	0.17312 (13)	0.33015 (10)	0.53723 (12)	0.0219 (5)
H6B	0.127396	0.318786	0.541364	0.026*
C5B	0.21622 (14)	0.36791 (10)	0.58656 (13)	0.0255 (6)
H5B	0.199811	0.381616	0.623350	0.031*
C4B	0.28416 (14)	0.38501 (10)	0.58042 (13)	0.0275 (6)
H4B	0.313234	0.411002	0.612414	0.033*
C3B	0.30866 (13)	0.36340 (10)	0.52668 (13)	0.0237 (5)
H3B	0.354633	0.375099	0.523437	0.028*
C2B	0.26692 (13)	0.32471 (9)	0.47719 (12)	0.0202 (5)
C7B	0.30133 (13)	0.30127 (10)	0.42391 (13)	0.0220 (5)
C8B	0.28437 (13)	0.32178 (10)	0.35113 (13)	0.0242 (6)
C9B	0.31803 (14)	0.29881 (12)	0.30438 (14)	0.0330 (7)
H9B	0.306417	0.312164	0.256098	0.040*
C10B	0.36795 (15)	0.25698 (12)	0.32718 (16)	0.0395 (8)
C11B	0.38684 (15)	0.23885 (11)	0.39967 (16)	0.0373 (7)
H11B	0.421407	0.211176	0.415909	0.045*
C12B	0.35608 (14)	0.26044 (11)	0.44960 (15)	0.0299 (6)
C22B	0.03258 (13)	0.29764 (10)	0.37415 (13)	0.0221 (5)
C23B	0.04492 (14)	0.35652 (10)	0.36928 (15)	0.0308 (6)
H23A	0.066781	0.370824	0.419206	0.046*
H23B	−0.003709	0.373098	0.342540	0.046*
H23C	0.079411	0.362543	0.343054	0.046*
C24B	−0.02076 (14)	0.28887 (10)	0.41825 (14)	0.0272 (6)
H24A	−0.032427	0.252298	0.418192	0.041*
H24B	−0.067714	0.308183	0.394910	0.041*
H24C	0.004496	0.300637	0.469231	0.041*
C25B	−0.00844 (14)	0.27725 (12)	0.29365 (13)	0.0326 (7)
H25A	0.021635	0.285755	0.263676	0.049*
H25B	−0.058387	0.293250	0.272077	0.049*
H25C	−0.014229	0.239996	0.294806	0.049*
C26B	0.12473 (15)	0.20209 (10)	0.46409 (14)	0.0286 (6)
C28B	0.06419 (17)	0.16540 (11)	0.40922 (16)	0.0410 (7)
H28A	0.013698	0.180289	0.396711	0.061*
H28B	0.066010	0.131958	0.432689	0.061*
H28C	0.075202	0.161142	0.364140	0.061*
C27B	0.10881 (17)	0.20833 (11)	0.53683 (15)	0.0356 (7)
H27A	0.146942	0.230964	0.570786	0.053*
H27B	0.111001	0.174727	0.559963	0.053*
H27C	0.058477	0.223236	0.525414	0.053*
C29B	0.20421 (17)	0.17656 (12)	0.48430 (17)	0.0429 (8)
H29A	0.215803	0.172524	0.439496	0.064*
H29B	0.203977	0.142876	0.506438	0.064*
H29C	0.242654	0.198292	0.519613	0.064*
C13B	0.23615 (14)	0.37093 (11)	0.32510 (14)	0.0289 (6)
H13B	0.206034	0.375761	0.357357	0.035*
C15B	0.28867 (16)	0.41869 (11)	0.33533 (17)	0.0410 (7)
H15A	0.320074	0.414445	0.305470	0.061*
H15B	0.321219	0.421984	0.387485	0.061*
H15C	0.257633	0.449586	0.319458	0.061*
C14B	0.17930 (15)	0.36808 (12)	0.24312 (14)	0.0399 (7)
H14A	0.207487	0.365092	0.210038	0.060*
H14B	0.148396	0.399231	0.231097	0.060*
H14C	0.146452	0.338138	0.236967	0.060*
C16B	0.4091 (8)	0.2488 (6)	0.2627 (8)	0.0344 (12)	0.282 (7)
H16B	0.396996	0.277046	0.225419	0.041*	0.282 (7)
C17B	0.3703 (7)	0.1966 (7)	0.2295 (8)	0.0591 (19)	0.282 (7)
H17A	0.389655	0.169356	0.266312	0.089*	0.282 (7)
H17B	0.381438	0.188169	0.185462	0.089*	0.282 (7)
H17C	0.315447	0.199605	0.215983	0.089*	0.282 (7)
C18B	0.493 (2)	0.2353 (17)	0.294 (2)	0.0412 (18)	0.282 (7)
H18A	0.521369	0.263774	0.324441	0.062*	0.282 (7)
H18B	0.510628	0.228973	0.253607	0.062*	0.282 (7)
H18C	0.500340	0.204433	0.324705	0.062*	0.282 (7)
C19B	0.38822 (16)	0.24291 (12)	0.53132 (16)	0.0402 (8)
H19B	0.351459	0.253476	0.554586	0.048*
C21B	0.46445 (16)	0.27095 (14)	0.57304 (16)	0.0498 (9)
H21A	0.484869	0.259471	0.624546	0.075*
H21B	0.455778	0.308015	0.571446	0.075*
H21C	0.500595	0.262992	0.549324	0.075*
C20B	0.40037 (19)	0.18348 (13)	0.5421 (2)	0.0646 (11)
H20A	0.355198	0.165577	0.509409	0.097*
H20B	0.409400	0.174548	0.593527	0.097*
H20C	0.444105	0.173257	0.530014	0.097*
C30B	0.4009 (3)	0.2258 (2)	0.2787 (3)	0.0344 (12)	0.718 (7)
H30B	0.403345	0.189283	0.294846	0.041*	0.718 (7)
C31B	0.3521 (3)	0.2274 (3)	0.1973 (3)	0.0591 (19)	0.718 (7)
H31A	0.300135	0.217946	0.190676	0.089*	0.718 (7)
H31B	0.371947	0.203172	0.170437	0.089*	0.718 (7)
H31C	0.352720	0.262065	0.178253	0.089*	0.718 (7)
C32B	0.4840 (8)	0.2444 (6)	0.2981 (8)	0.0412 (18)	0.718 (7)
H32A	0.484028	0.280652	0.285008	0.062*	0.718 (7)
H32B	0.508023	0.224138	0.270359	0.062*	0.718 (7)
H32C	0.512195	0.240083	0.351166	0.062*	0.718 (7)
Cu1C	0.80412 (2)	0.41891 (2)	0.67927 (2)	0.02652 (11)
Cl1C	0.82029 (4)	0.45673 (3)	0.78347 (3)	0.03401 (17)
P1C	0.83359 (3)	0.40158 (3)	0.58118 (3)	0.02039 (14)
C1C	0.77354 (13)	0.35357 (9)	0.51268 (12)	0.0187 (5)
C6C	0.79799 (13)	0.33497 (10)	0.45596 (12)	0.0215 (5)
H6C	0.841210	0.349876	0.450528	0.026*
C5C	0.75967 (14)	0.29508 (10)	0.40784 (13)	0.0239 (5)
H5C	0.776556	0.283623	0.370203	0.029*
C4C	0.69597 (14)	0.27245 (10)	0.41637 (13)	0.0234 (5)
H4C	0.670822	0.244748	0.385558	0.028*
C3C	0.66966 (13)	0.29098 (9)	0.47066 (13)	0.0216 (5)
H3C	0.626517	0.275542	0.475542	0.026*
C2C	0.70597 (13)	0.33221 (9)	0.51838 (12)	0.0199 (5)
C7C	0.66894 (12)	0.35407 (9)	0.57056 (12)	0.0185 (5)
C12C	0.69325 (13)	0.33857 (10)	0.64664 (13)	0.0212 (5)
C11C	0.66123 (13)	0.36311 (10)	0.69354 (13)	0.0263 (6)
H11C	0.677369	0.353032	0.743835	0.032*
C10C	0.60599 (14)	0.40214 (11)	0.66762 (13)	0.0268 (6)
C9C	0.57864 (14)	0.41382 (10)	0.59141 (14)	0.0285 (6)
H9C	0.539302	0.438337	0.572886	0.034*
C8C	0.60761 (14)	0.39038 (10)	0.54145 (13)	0.0233 (5)
C22C	0.82409 (16)	0.46464 (10)	0.52827 (14)	0.0304 (6)
C23C	0.73943 (17)	0.48074 (11)	0.50847 (16)	0.0404 (7)
H23G	0.727830	0.481639	0.553548	0.061*
H23H	0.706373	0.455863	0.473855	0.061*
H23I	0.731202	0.514773	0.485633	0.061*
C25C	0.87561 (18)	0.50618 (11)	0.58122 (16)	0.0428 (8)
H25G	0.928841	0.497680	0.592191	0.064*
H25H	0.865765	0.507003	0.627243	0.064*
H25I	0.864446	0.539825	0.557326	0.064*
C24C	0.83982 (19)	0.46304 (12)	0.45472 (15)	0.0447 (8)
H24G	0.805761	0.438266	0.420788	0.067*
H24H	0.892361	0.452769	0.465450	0.067*
H24I	0.831176	0.497081	0.431909	0.067*
C26C	0.93567 (14)	0.37491 (10)	0.61656 (14)	0.0268 (6)
C27C	0.97610 (14)	0.39639 (12)	0.69647 (14)	0.0353 (7)
H27G	0.948360	0.385639	0.727682	0.053*
H27H	0.977403	0.433887	0.694747	0.053*
H27I	1.027866	0.383105	0.717025	0.053*
C29C	0.93288 (15)	0.31526 (10)	0.62203 (15)	0.0319 (6)
H29G	0.912316	0.300580	0.572258	0.048*
H29H	0.900525	0.305727	0.649283	0.048*
H29I	0.984061	0.302059	0.647973	0.048*
C28C	0.98535 (15)	0.38941 (11)	0.57017 (15)	0.0360 (7)
H28G	0.992283	0.426634	0.571065	0.054*
H28H	0.959962	0.377967	0.519039	0.054*
H28I	1.034763	0.372650	0.591493	0.054*
C19C	0.74644 (14)	0.29191 (10)	0.67573 (13)	0.0254 (6)
H19C	0.775840	0.287156	0.642790	0.030*
C20C	0.80417 (15)	0.29813 (11)	0.75643 (13)	0.0320 (6)
H20G	0.776805	0.300840	0.790282	0.048*
H20H	0.834246	0.329182	0.759923	0.048*
H20I	0.837701	0.268260	0.769769	0.048*
C21C	0.69758 (17)	0.24283 (11)	0.66962 (17)	0.0404 (7)
H21G	0.663741	0.237990	0.618183	0.061*
H21H	0.667540	0.246722	0.700866	0.061*
H21I	0.730802	0.212974	0.685990	0.061*
C16C	0.57444 (15)	0.43230 (13)	0.71933 (15)	0.0381 (7)
H16C	0.575061	0.469277	0.706056	0.046*
C18C	0.49014 (16)	0.41848 (13)	0.70204 (16)	0.0467 (8)
H18G	0.469832	0.440340	0.731312	0.070*
H18H	0.486309	0.382480	0.714530	0.070*
H18I	0.461150	0.423896	0.649379	0.070*
C17C	0.62226 (17)	0.42834 (13)	0.80115 (16)	0.0477 (8)
H17G	0.675088	0.436026	0.808903	0.072*
H17H	0.618670	0.393553	0.818500	0.072*
H17I	0.603850	0.452902	0.828778	0.072*
C13C	0.56965 (14)	0.40163 (10)	0.45761 (13)	0.0243 (6)
H13C	0.607451	0.394418	0.434132	0.029*
C14C	0.54174 (16)	0.45794 (11)	0.43880 (14)	0.0364 (7)
H14G	0.497154	0.463598	0.451769	0.055*
H14H	0.528512	0.464015	0.385848	0.055*
H14I	0.582015	0.481591	0.466963	0.055*
C15C	0.50119 (15)	0.36493 (11)	0.42261 (14)	0.0348 (7)
H15G	0.463717	0.370923	0.445421	0.052*
H15H	0.518598	0.329330	0.430977	0.052*
H15I	0.478178	0.371459	0.369417	0.052*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0267 (2)	0.0292 (2)	0.0213 (2)	0.00368 (16)	0.01207 (15)	−0.00263 (15)
Cl1	0.0298 (3)	0.0399 (4)	0.0244 (3)	−0.0035 (3)	0.0140 (2)	−0.0090 (3)
P1	0.0226 (3)	0.0184 (4)	0.0198 (3)	−0.0001 (2)	0.0107 (2)	−0.0022 (2)
C1	0.0230 (12)	0.0185 (14)	0.0183 (12)	0.0017 (10)	0.0082 (9)	0.0017 (10)
C6	0.0232 (13)	0.0233 (15)	0.0217 (12)	−0.0002 (10)	0.0113 (10)	0.0006 (10)
C5	0.0270 (13)	0.0259 (15)	0.0202 (12)	0.0035 (11)	0.0102 (10)	0.0006 (10)
C4	0.0231 (13)	0.0273 (16)	0.0236 (13)	−0.0021 (11)	0.0037 (10)	−0.0024 (11)
C3	0.0202 (12)	0.0267 (15)	0.0258 (13)	−0.0013 (11)	0.0079 (10)	−0.0013 (11)
C2	0.0188 (12)	0.0227 (14)	0.0207 (12)	0.0053 (10)	0.0084 (9)	0.0061 (10)
C7	0.0156 (11)	0.0216 (14)	0.0202 (12)	0.0006 (10)	0.0058 (9)	0.0010 (10)
C8	0.0182 (12)	0.0228 (15)	0.0217 (12)	0.0019 (10)	0.0058 (9)	0.0036 (10)
C9	0.0222 (12)	0.0282 (15)	0.0163 (12)	0.0004 (10)	0.0066 (9)	0.0044 (10)
C10	0.0200 (12)	0.0282 (16)	0.0225 (13)	0.0011 (10)	0.0100 (10)	−0.0011 (11)
C11	0.0273 (14)	0.0320 (17)	0.0252 (14)	0.0091 (12)	0.0114 (11)	0.0042 (11)
C12	0.0224 (13)	0.0292 (16)	0.0259 (13)	0.0058 (11)	0.0111 (10)	0.0051 (11)
C22	0.0232 (13)	0.0245 (15)	0.0245 (13)	−0.0024 (11)	0.0117 (10)	−0.0040 (11)
C23	0.0239 (13)	0.0259 (16)	0.0375 (15)	0.0067 (11)	0.0057 (11)	0.0010 (12)
C24	0.0293 (14)	0.0366 (18)	0.0344 (15)	−0.0023 (12)	0.0178 (12)	−0.0078 (12)
C25	0.0225 (13)	0.0374 (18)	0.0283 (14)	−0.0002 (12)	0.0073 (11)	−0.0030 (12)
C26	0.0406 (16)	0.0216 (16)	0.0295 (14)	0.0015 (12)	0.0140 (12)	0.0021 (11)
C29	0.060 (2)	0.0342 (19)	0.0429 (18)	0.0137 (15)	0.0193 (15)	0.0096 (14)
C28	0.065 (2)	0.0235 (17)	0.0443 (18)	−0.0128 (15)	0.0235 (15)	−0.0083 (14)
C27	0.0573 (19)	0.0319 (18)	0.0296 (15)	−0.0063 (14)	0.0193 (14)	0.0064 (13)
C13	0.0255 (13)	0.0316 (17)	0.0273 (14)	0.0077 (11)	0.0137 (11)	0.0062 (11)
C15	0.0397 (17)	0.0293 (18)	0.0517 (19)	0.0062 (13)	0.0130 (14)	0.0061 (14)
C14	0.0320 (15)	0.0377 (18)	0.0286 (14)	0.0143 (13)	0.0104 (11)	0.0132 (12)
C16	0.0221 (13)	0.0368 (17)	0.0230 (13)	0.0045 (11)	0.0102 (10)	0.0005 (11)
C18	0.0305 (15)	0.0436 (19)	0.0321 (15)	−0.0047 (13)	0.0182 (12)	−0.0077 (13)
C17	0.0339 (16)	0.055 (2)	0.0498 (19)	−0.0107 (15)	0.0228 (14)	−0.0231 (16)
C19	0.0272 (14)	0.048 (2)	0.0259 (14)	0.0172 (13)	0.0145 (11)	0.0129 (12)
C21	0.0324 (16)	0.087 (3)	0.0253 (15)	0.0143 (16)	0.0095 (12)	0.0142 (16)
C20	0.061 (2)	0.057 (2)	0.0494 (19)	0.0417 (18)	0.0364 (16)	0.0321 (16)
Cu1B	0.0266 (2)	0.0308 (2)	0.0219 (2)	0.00397 (16)	0.01176 (15)	−0.00376 (16)
Cl1B	0.0299 (3)	0.0390 (4)	0.0246 (3)	0.0002 (3)	0.0122 (2)	−0.0087 (3)
P1B	0.0210 (3)	0.0189 (4)	0.0201 (3)	0.0009 (2)	0.0099 (2)	−0.0020 (2)
C1B	0.0239 (12)	0.0196 (14)	0.0153 (11)	0.0041 (10)	0.0068 (9)	0.0042 (10)
C6B	0.0226 (12)	0.0226 (15)	0.0231 (12)	−0.0013 (10)	0.0116 (10)	−0.0005 (10)
C5B	0.0276 (13)	0.0281 (16)	0.0224 (13)	0.0012 (11)	0.0109 (10)	−0.0036 (11)
C4B	0.0297 (14)	0.0266 (16)	0.0229 (13)	−0.0050 (11)	0.0057 (10)	0.0010 (11)
C3B	0.0198 (12)	0.0277 (16)	0.0230 (13)	−0.0025 (10)	0.0071 (10)	0.0018 (11)
C2B	0.0190 (12)	0.0213 (14)	0.0209 (12)	0.0040 (10)	0.0078 (9)	0.0083 (10)
C7B	0.0167 (12)	0.0226 (15)	0.0274 (13)	0.0006 (10)	0.0089 (10)	−0.0016 (10)
C8B	0.0156 (12)	0.0316 (16)	0.0250 (13)	−0.0027 (10)	0.0070 (10)	−0.0051 (11)
C9B	0.0213 (13)	0.055 (2)	0.0202 (13)	0.0045 (13)	0.0044 (10)	−0.0083 (12)
C10B	0.0193 (14)	0.059 (2)	0.0375 (17)	0.0020 (13)	0.0076 (12)	−0.0229 (15)
C11B	0.0240 (14)	0.0354 (18)	0.0493 (18)	0.0094 (12)	0.0096 (13)	−0.0100 (14)
C12B	0.0220 (13)	0.0275 (16)	0.0412 (16)	0.0013 (11)	0.0126 (11)	0.0006 (12)
C22B	0.0204 (12)	0.0246 (15)	0.0220 (12)	0.0009 (10)	0.0084 (10)	0.0026 (10)
C23B	0.0230 (13)	0.0290 (17)	0.0387 (15)	0.0053 (11)	0.0091 (11)	0.0094 (12)
C24B	0.0240 (13)	0.0314 (16)	0.0322 (14)	0.0010 (11)	0.0173 (11)	−0.0024 (12)
C25B	0.0202 (13)	0.049 (2)	0.0269 (14)	0.0014 (12)	0.0064 (11)	−0.0031 (13)
C26B	0.0345 (15)	0.0210 (15)	0.0307 (14)	0.0009 (11)	0.0123 (11)	0.0029 (11)
C28B	0.0517 (19)	0.0252 (17)	0.0496 (18)	−0.0076 (14)	0.0228 (15)	−0.0056 (14)
C27B	0.0459 (17)	0.0279 (17)	0.0361 (16)	−0.0008 (13)	0.0188 (13)	0.0085 (12)
C29B	0.0473 (18)	0.0333 (19)	0.0499 (19)	0.0159 (14)	0.0199 (15)	0.0117 (14)
C13B	0.0262 (14)	0.0364 (18)	0.0261 (14)	0.0082 (12)	0.0120 (11)	0.0061 (12)
C15B	0.0358 (16)	0.0368 (19)	0.0482 (19)	0.0001 (14)	0.0128 (14)	0.0031 (14)
C14B	0.0298 (15)	0.056 (2)	0.0296 (15)	0.0062 (14)	0.0059 (12)	0.0110 (14)
C16B	0.0267 (19)	0.043 (4)	0.041 (3)	−0.006 (2)	0.0208 (16)	−0.018 (2)
C17B	0.029 (2)	0.108 (6)	0.042 (3)	−0.003 (3)	0.014 (2)	−0.033 (3)
C18B	0.029 (4)	0.064 (6)	0.040 (2)	0.003 (3)	0.023 (2)	−0.022 (3)
C19B	0.0313 (16)	0.044 (2)	0.0484 (18)	0.0170 (14)	0.0184 (13)	0.0201 (15)
C21B	0.0270 (16)	0.083 (3)	0.0361 (17)	0.0117 (16)	0.0082 (13)	0.0177 (17)
C20B	0.049 (2)	0.060 (3)	0.100 (3)	0.0337 (18)	0.045 (2)	0.040 (2)
C30B	0.0267 (19)	0.043 (4)	0.041 (3)	−0.006 (2)	0.0208 (16)	−0.018 (2)
C31B	0.029 (2)	0.108 (6)	0.042 (3)	−0.003 (3)	0.014 (2)	−0.033 (3)
C32B	0.029 (4)	0.064 (6)	0.040 (2)	0.003 (3)	0.023 (2)	−0.022 (3)
Cu1C	0.0302 (2)	0.0305 (2)	0.0204 (2)	0.00424 (17)	0.01116 (15)	−0.00305 (16)
Cl1C	0.0389 (4)	0.0420 (4)	0.0245 (3)	−0.0065 (3)	0.0155 (3)	−0.0112 (3)
P1C	0.0244 (3)	0.0190 (4)	0.0197 (3)	−0.0020 (3)	0.0103 (2)	−0.0036 (3)
C1C	0.0217 (12)	0.0157 (13)	0.0189 (12)	0.0013 (10)	0.0076 (9)	0.0019 (10)
C6C	0.0215 (12)	0.0216 (14)	0.0235 (12)	−0.0013 (10)	0.0107 (10)	−0.0010 (10)
C5C	0.0281 (13)	0.0238 (15)	0.0218 (12)	0.0024 (11)	0.0114 (10)	−0.0024 (10)
C4C	0.0246 (13)	0.0193 (14)	0.0227 (13)	0.0011 (10)	0.0044 (10)	−0.0026 (10)
C3C	0.0179 (12)	0.0207 (14)	0.0243 (13)	−0.0010 (10)	0.0057 (9)	0.0011 (10)
C2C	0.0199 (12)	0.0206 (14)	0.0189 (12)	0.0038 (10)	0.0065 (9)	0.0039 (10)
C7C	0.0152 (11)	0.0179 (14)	0.0228 (12)	−0.0008 (9)	0.0073 (9)	−0.0007 (10)
C12C	0.0163 (12)	0.0225 (15)	0.0238 (12)	−0.0008 (10)	0.0062 (9)	−0.0015 (10)
C11C	0.0222 (13)	0.0376 (17)	0.0178 (12)	0.0038 (11)	0.0060 (10)	0.0017 (11)
C10C	0.0213 (13)	0.0360 (17)	0.0229 (13)	0.0035 (11)	0.0079 (10)	−0.0061 (11)
C9C	0.0231 (13)	0.0348 (17)	0.0261 (14)	0.0096 (11)	0.0071 (10)	−0.0014 (11)
C8C	0.0234 (13)	0.0225 (15)	0.0234 (13)	0.0040 (10)	0.0077 (10)	−0.0008 (11)
C22C	0.0412 (16)	0.0238 (16)	0.0272 (14)	−0.0050 (12)	0.0138 (12)	−0.0007 (11)
C23C	0.0500 (19)	0.0262 (17)	0.0420 (17)	0.0044 (14)	0.0134 (14)	0.0034 (13)
C25C	0.058 (2)	0.0249 (17)	0.0452 (18)	−0.0130 (14)	0.0187 (15)	−0.0085 (14)
C24C	0.073 (2)	0.0352 (19)	0.0309 (16)	−0.0071 (16)	0.0252 (15)	0.0032 (13)
C26C	0.0229 (13)	0.0318 (16)	0.0274 (14)	−0.0034 (11)	0.0113 (10)	−0.0054 (11)
C27C	0.0203 (13)	0.051 (2)	0.0320 (15)	−0.0045 (13)	0.0066 (11)	−0.0092 (13)
C29C	0.0250 (14)	0.0285 (17)	0.0410 (16)	0.0042 (12)	0.0106 (12)	0.0026 (12)
C28C	0.0341 (16)	0.0393 (19)	0.0419 (17)	−0.0064 (13)	0.0225 (13)	−0.0085 (13)
C19C	0.0237 (13)	0.0301 (16)	0.0242 (13)	0.0069 (11)	0.0109 (10)	0.0047 (11)
C20C	0.0290 (14)	0.0355 (18)	0.0273 (14)	0.0056 (12)	0.0052 (11)	0.0095 (12)
C21C	0.0419 (17)	0.0291 (18)	0.0463 (18)	0.0009 (13)	0.0116 (14)	0.0027 (14)
C16C	0.0328 (15)	0.055 (2)	0.0297 (15)	0.0127 (14)	0.0146 (12)	−0.0065 (14)
C18C	0.0337 (16)	0.072 (3)	0.0395 (17)	−0.0021 (16)	0.0195 (13)	−0.0177 (16)
C17C	0.0404 (18)	0.069 (2)	0.0354 (17)	0.0047 (16)	0.0158 (14)	−0.0155 (16)
C13C	0.0267 (13)	0.0255 (15)	0.0201 (13)	0.0094 (11)	0.0081 (10)	0.0020 (11)
C14C	0.0421 (16)	0.0370 (18)	0.0272 (14)	0.0182 (13)	0.0094 (12)	0.0057 (12)
C15C	0.0309 (15)	0.0439 (19)	0.0245 (14)	0.0062 (13)	0.0039 (11)	0.0004 (13)

Geometric parameters (Å, º)

Cu1—Cl1	2.1198 (7)	C28B—H28B	0.9600
Cu1—P1	2.1758 (7)	C28B—H28C	0.9600
P1—C1	1.837 (2)	C27B—H27A	0.9600
P1—C22	1.894 (2)	C27B—H27B	0.9600
P1—C26	1.882 (3)	C27B—H27C	0.9600
C1—C6	1.399 (3)	C29B—H29A	0.9600
C1—C2	1.413 (3)	C29B—H29B	0.9600
C6—H6	0.9300	C29B—H29C	0.9600
C6—C5	1.380 (3)	C13B—H13B	0.9800
C5—H5	0.9300	C13B—C15B	1.532 (4)
C5—C4	1.390 (3)	C13B—C14B	1.535 (3)
C4—H4	0.9300	C15B—H15A	0.9600
C4—C3	1.379 (3)	C15B—H15B	0.9600
C3—H3	0.9300	C15B—H15C	0.9600
C3—C2	1.399 (3)	C14B—H14A	0.9600
C2—C7	1.513 (3)	C14B—H14B	0.9600
C7—C8	1.407 (3)	C14B—H14C	0.9600
C7—C12	1.417 (3)	C16B—H16B	0.9800
C8—C9	1.399 (3)	C16B—C17B	1.54 (2)
C8—C13	1.516 (3)	C16B—C18B	1.49 (4)
C9—H9	0.9300	C17B—H17A	0.9600
C9—C10	1.379 (3)	C17B—H17B	0.9600
C10—C11	1.388 (3)	C17B—H17C	0.9600
C10—C16	1.517 (3)	C18B—H18A	0.9600
C11—H11	0.9300	C18B—H18B	0.9600
C11—C12	1.389 (3)	C18B—H18C	0.9600
C12—C19	1.523 (3)	C19B—H19B	0.9800
C22—C23	1.531 (3)	C19B—C21B	1.528 (4)
C22—C24	1.543 (3)	C19B—C20B	1.539 (4)
C22—C25	1.535 (3)	C21B—H21A	0.9600
C23—H23D	0.9600	C21B—H21B	0.9600
C23—H23E	0.9600	C21B—H21C	0.9600
C23—H23F	0.9600	C20B—H20A	0.9600
C24—H24D	0.9600	C20B—H20B	0.9600
C24—H24E	0.9600	C20B—H20C	0.9600
C24—H24F	0.9600	C30B—H30B	0.9800
C25—H25D	0.9600	C30B—C31B	1.484 (8)
C25—H25E	0.9600	C30B—C32B	1.529 (16)
C25—H25F	0.9600	C31B—H31A	0.9600
C26—C29	1.526 (4)	C31B—H31B	0.9600
C26—C28	1.540 (4)	C31B—H31C	0.9600
C26—C27	1.535 (3)	C32B—H32A	0.9600
C29—H29D	0.9600	C32B—H32B	0.9600
C29—H29E	0.9600	C32B—H32C	0.9600
C29—H29F	0.9600	Cu1C—Cl1C	2.1291 (7)
C28—H28D	0.9600	Cu1C—P1C	2.1785 (7)
C28—H28E	0.9600	P1C—C1C	1.842 (2)
C28—H28F	0.9600	P1C—C22C	1.876 (3)
C27—H27D	0.9600	P1C—C26C	1.896 (3)
C27—H27E	0.9600	C1C—C6C	1.401 (3)
C27—H27F	0.9600	C1C—C2C	1.412 (3)
C13—H13	0.9800	C6C—H6C	0.9300
C13—C15	1.529 (4)	C6C—C5C	1.383 (3)
C13—C14	1.534 (3)	C5C—H5C	0.9300
C15—H15D	0.9600	C5C—C4C	1.382 (3)
C15—H15E	0.9600	C4C—H4C	0.9300
C15—H15F	0.9600	C4C—C3C	1.381 (3)
C14—H14D	0.9600	C3C—H3C	0.9300
C14—H14E	0.9600	C3C—C2C	1.395 (3)
C14—H14F	0.9600	C2C—C7C	1.510 (3)
C16—H16	0.9800	C7C—C12C	1.409 (3)
C16—C18	1.531 (3)	C7C—C8C	1.418 (3)
C16—C17	1.520 (4)	C12C—C11C	1.393 (3)
C18—H18D	0.9600	C12C—C19C	1.520 (3)
C18—H18E	0.9600	C11C—H11C	0.9300
C18—H18F	0.9600	C11C—C10C	1.388 (3)
C17—H17D	0.9600	C10C—C9C	1.385 (3)
C17—H17E	0.9600	C10C—C16C	1.528 (3)
C17—H17F	0.9600	C9C—H9C	0.9300
C19—H19	0.9800	C9C—C8C	1.390 (3)
C19—C21	1.529 (4)	C8C—C13C	1.520 (3)
C19—C20	1.531 (4)	C22C—C23C	1.537 (4)
C21—H21D	0.9600	C22C—C25C	1.536 (4)
C21—H21E	0.9600	C22C—C24C	1.534 (3)
C21—H21F	0.9600	C23C—H23G	0.9600
C20—H20D	0.9600	C23C—H23H	0.9600
C20—H20E	0.9600	C23C—H23I	0.9600
C20—H20F	0.9600	C25C—H25G	0.9600
Cu1B—Cl1B	2.1226 (7)	C25C—H25H	0.9600
Cu1B—P1B	2.1757 (7)	C25C—H25I	0.9600
P1B—C1B	1.836 (2)	C24C—H24G	0.9600
P1B—C22B	1.899 (2)	C24C—H24H	0.9600
P1B—C26B	1.884 (3)	C24C—H24I	0.9600
C1B—C6B	1.396 (3)	C26C—C27C	1.533 (3)
C1B—C2B	1.418 (3)	C26C—C29C	1.531 (4)
C6B—H6B	0.9300	C26C—C28C	1.541 (3)
C6B—C5B	1.381 (3)	C27C—H27G	0.9600
C5B—H5B	0.9300	C27C—H27H	0.9600
C5B—C4B	1.383 (3)	C27C—H27I	0.9600
C4B—H4B	0.9300	C29C—H29G	0.9600
C4B—C3B	1.381 (3)	C29C—H29H	0.9600
C3B—H3B	0.9300	C29C—H29I	0.9600
C3B—C2B	1.391 (3)	C28C—H28G	0.9600
C2B—C7B	1.509 (3)	C28C—H28H	0.9600
C7B—C8B	1.407 (3)	C28C—H28I	0.9600
C7B—C12B	1.416 (3)	C19C—H19C	0.9800
C8B—C9B	1.393 (3)	C19C—C20C	1.529 (3)
C8B—C13B	1.519 (3)	C19C—C21C	1.529 (4)
C9B—H9B	0.9300	C20C—H20G	0.9600
C9B—C10B	1.379 (4)	C20C—H20H	0.9600
C10B—C11B	1.376 (4)	C20C—H20I	0.9600
C10B—C16B	1.683 (13)	C21C—H21G	0.9600
C10B—C30B	1.510 (5)	C21C—H21H	0.9600
C11B—H11B	0.9300	C21C—H21I	0.9600
C11B—C12B	1.392 (4)	C16C—H16C	0.9800
C12B—C19B	1.518 (4)	C16C—C18C	1.523 (4)
C22B—C23B	1.531 (3)	C16C—C17C	1.490 (4)
C22B—C24B	1.535 (3)	C18C—H18G	0.9600
C22B—C25B	1.534 (3)	C18C—H18H	0.9600
C23B—H23A	0.9600	C18C—H18I	0.9600
C23B—H23B	0.9600	C17C—H17G	0.9600
C23B—H23C	0.9600	C17C—H17H	0.9600
C24B—H24A	0.9600	C17C—H17I	0.9600
C24B—H24B	0.9600	C13C—H13C	0.9800
C24B—H24C	0.9600	C13C—C14C	1.529 (3)
C25B—H25A	0.9600	C13C—C15C	1.526 (3)
C25B—H25B	0.9600	C14C—H14G	0.9600
C25B—H25C	0.9600	C14C—H14H	0.9600
C26B—C28B	1.543 (4)	C14C—H14I	0.9600
C26B—C27B	1.529 (3)	C15C—H15G	0.9600
C26B—C29B	1.532 (4)	C15C—H15H	0.9600
C28B—H28A	0.9600	C15C—H15I	0.9600
Cl1—Cu1—P1	160.78 (3)	C26B—C27B—H27C	109.5
C1—P1—Cu1	114.71 (7)	H27A—C27B—H27B	109.5
C1—P1—C22	106.82 (11)	H27A—C27B—H27C	109.5
C1—P1—C26	106.90 (11)	H27B—C27B—H27C	109.5
C22—P1—Cu1	109.96 (7)	C26B—C29B—H29A	109.5
C26—P1—Cu1	107.25 (8)	C26B—C29B—H29B	109.5
C26—P1—C22	111.20 (11)	C26B—C29B—H29C	109.5
C6—C1—P1	119.15 (18)	H29A—C29B—H29B	109.5
C6—C1—C2	118.9 (2)	H29A—C29B—H29C	109.5
C2—C1—P1	121.84 (17)	H29B—C29B—H29C	109.5
C1—C6—H6	119.0	C8B—C13B—H13B	107.8
C5—C6—C1	122.0 (2)	C8B—C13B—C15B	110.2 (2)
C5—C6—H6	119.0	C8B—C13B—C14B	113.5 (2)
C6—C5—H5	120.4	C15B—C13B—H13B	107.8
C6—C5—C4	119.1 (2)	C15B—C13B—C14B	109.7 (2)
C4—C5—H5	120.4	C14B—C13B—H13B	107.8
C5—C4—H4	120.1	C13B—C15B—H15A	109.5
C3—C4—C5	119.8 (2)	C13B—C15B—H15B	109.5
C3—C4—H4	120.1	C13B—C15B—H15C	109.5
C4—C3—H3	118.9	H15A—C15B—H15B	109.5
C4—C3—C2	122.1 (2)	H15A—C15B—H15C	109.5
C2—C3—H3	118.9	H15B—C15B—H15C	109.5
C1—C2—C7	124.8 (2)	C13B—C14B—H14A	109.5
C3—C2—C1	118.0 (2)	C13B—C14B—H14B	109.5
C3—C2—C7	117.1 (2)	C13B—C14B—H14C	109.5
C8—C7—C2	120.8 (2)	H14A—C14B—H14B	109.5
C8—C7—C12	119.3 (2)	H14A—C14B—H14C	109.5
C12—C7—C2	119.6 (2)	H14B—C14B—H14C	109.5
C7—C8—C13	122.0 (2)	C10B—C16B—H16B	113.1
C9—C8—C7	118.7 (2)	C17B—C16B—C10B	97.9 (10)
C9—C8—C13	119.0 (2)	C17B—C16B—H16B	113.1
C8—C9—H9	118.6	C18B—C16B—C10B	115.1 (17)
C10—C9—C8	122.9 (2)	C18B—C16B—H16B	113.1
C10—C9—H9	118.6	C18B—C16B—C17B	103 (2)
C9—C10—C11	117.3 (2)	C16B—C17B—H17A	109.5
C9—C10—C16	121.0 (2)	C16B—C17B—H17B	109.5
C11—C10—C16	121.7 (2)	C16B—C17B—H17C	109.5
C10—C11—H11	118.6	H17A—C17B—H17B	109.5
C10—C11—C12	122.8 (2)	H17A—C17B—H17C	109.5
C12—C11—H11	118.6	H17B—C17B—H17C	109.5
C7—C12—C19	122.1 (2)	C16B—C18B—H18A	109.5
C11—C12—C7	118.8 (2)	C16B—C18B—H18B	109.5
C11—C12—C19	118.8 (2)	C16B—C18B—H18C	109.5
C23—C22—P1	109.56 (16)	H18A—C18B—H18B	109.5
C23—C22—C24	108.2 (2)	H18A—C18B—H18C	109.5
C23—C22—C25	107.8 (2)	H18B—C18B—H18C	109.5
C24—C22—P1	116.16 (18)	C12B—C19B—H19B	107.8
C25—C22—P1	106.94 (16)	C12B—C19B—C21B	109.7 (2)
C25—C22—C24	107.9 (2)	C12B—C19B—C20B	114.3 (3)
C22—C23—H23D	109.5	C21B—C19B—H19B	107.8
C22—C23—H23E	109.5	C21B—C19B—C20B	109.3 (2)
C22—C23—H23F	109.5	C20B—C19B—H19B	107.8
H23D—C23—H23E	109.5	C19B—C21B—H21A	109.5
H23D—C23—H23F	109.5	C19B—C21B—H21B	109.5
H23E—C23—H23F	109.5	C19B—C21B—H21C	109.5
C22—C24—H24D	109.5	H21A—C21B—H21B	109.5
C22—C24—H24E	109.5	H21A—C21B—H21C	109.5
C22—C24—H24F	109.5	H21B—C21B—H21C	109.5
H24D—C24—H24E	109.5	C19B—C20B—H20A	109.5
H24D—C24—H24F	109.5	C19B—C20B—H20B	109.5
H24E—C24—H24F	109.5	C19B—C20B—H20C	109.5
C22—C25—H25D	109.5	H20A—C20B—H20B	109.5
C22—C25—H25E	109.5	H20A—C20B—H20C	109.5
C22—C25—H25F	109.5	H20B—C20B—H20C	109.5
H25D—C25—H25E	109.5	C10B—C30B—H30B	107.1
H25D—C25—H25F	109.5	C10B—C30B—C32B	106.9 (5)
H25E—C25—H25F	109.5	C31B—C30B—C10B	113.3 (4)
C29—C26—P1	104.55 (19)	C31B—C30B—H30B	107.1
C29—C26—C28	108.1 (2)	C31B—C30B—C32B	115.0 (7)
C29—C26—C27	108.1 (2)	C32B—C30B—H30B	107.1
C28—C26—P1	108.45 (18)	C30B—C31B—H31A	109.5
C27—C26—P1	117.35 (19)	C30B—C31B—H31B	109.5
C27—C26—C28	109.8 (2)	C30B—C31B—H31C	109.5
C26—C29—H29D	109.5	H31A—C31B—H31B	109.5
C26—C29—H29E	109.5	H31A—C31B—H31C	109.5
C26—C29—H29F	109.5	H31B—C31B—H31C	109.5
H29D—C29—H29E	109.5	C30B—C32B—H32A	109.5
H29D—C29—H29F	109.5	C30B—C32B—H32B	109.5
H29E—C29—H29F	109.5	C30B—C32B—H32C	109.5
C26—C28—H28D	109.5	H32A—C32B—H32B	109.5
C26—C28—H28E	109.5	H32A—C32B—H32C	109.5
C26—C28—H28F	109.5	H32B—C32B—H32C	109.5
H28D—C28—H28E	109.5	Cl1C—Cu1C—P1C	154.04 (3)
H28D—C28—H28F	109.5	C1C—P1C—Cu1C	117.76 (8)
H28E—C28—H28F	109.5	C1C—P1C—C22C	106.17 (11)
C26—C27—H27D	109.5	C1C—P1C—C26C	106.36 (11)
C26—C27—H27E	109.5	C22C—P1C—Cu1C	106.43 (8)
C26—C27—H27F	109.5	C22C—P1C—C26C	112.67 (12)
H27D—C27—H27E	109.5	C26C—P1C—Cu1C	107.62 (8)
H27D—C27—H27F	109.5	C6C—C1C—P1C	119.27 (17)
H27E—C27—H27F	109.5	C6C—C1C—C2C	118.6 (2)
C8—C13—H13	107.9	C2C—C1C—P1C	122.00 (17)
C8—C13—C15	109.8 (2)	C1C—C6C—H6C	119.1
C8—C13—C14	112.7 (2)	C5C—C6C—C1C	121.9 (2)
C15—C13—H13	107.9	C5C—C6C—H6C	119.1
C15—C13—C14	110.5 (2)	C6C—C5C—H5C	120.4
C14—C13—H13	107.9	C4C—C5C—C6C	119.2 (2)
C13—C15—H15D	109.5	C4C—C5C—H5C	120.4
C13—C15—H15E	109.5	C5C—C4C—H4C	120.0
C13—C15—H15F	109.5	C3C—C4C—C5C	120.0 (2)
H15D—C15—H15E	109.5	C3C—C4C—H4C	120.0
H15D—C15—H15F	109.5	C4C—C3C—H3C	119.1
H15E—C15—H15F	109.5	C4C—C3C—C2C	121.9 (2)
C13—C14—H14D	109.5	C2C—C3C—H3C	119.1
C13—C14—H14E	109.5	C1C—C2C—C7C	122.8 (2)
C13—C14—H14F	109.5	C3C—C2C—C1C	118.4 (2)
H14D—C14—H14E	109.5	C3C—C2C—C7C	118.7 (2)
H14D—C14—H14F	109.5	C12C—C7C—C2C	121.5 (2)
H14E—C14—H14F	109.5	C12C—C7C—C8C	119.8 (2)
C10—C16—H16	108.0	C8C—C7C—C2C	118.8 (2)
C10—C16—C18	111.1 (2)	C7C—C12C—C19C	121.2 (2)
C10—C16—C17	111.6 (2)	C11C—C12C—C7C	118.8 (2)
C18—C16—H16	108.0	C11C—C12C—C19C	119.7 (2)
C17—C16—H16	108.0	C12C—C11C—H11C	119.0
C17—C16—C18	110.1 (2)	C10C—C11C—C12C	122.1 (2)
C16—C18—H18D	109.5	C10C—C11C—H11C	119.0
C16—C18—H18E	109.5	C11C—C10C—C16C	122.9 (2)
C16—C18—H18F	109.5	C9C—C10C—C11C	117.9 (2)
H18D—C18—H18E	109.5	C9C—C10C—C16C	119.2 (2)
H18D—C18—H18F	109.5	C10C—C9C—H9C	118.7
H18E—C18—H18F	109.5	C10C—C9C—C8C	122.7 (2)
C16—C17—H17D	109.5	C8C—C9C—H9C	118.7
C16—C17—H17E	109.5	C7C—C8C—C13C	122.2 (2)
C16—C17—H17F	109.5	C9C—C8C—C7C	118.2 (2)
H17D—C17—H17E	109.5	C9C—C8C—C13C	119.4 (2)
H17D—C17—H17F	109.5	C23C—C22C—P1C	104.41 (18)
H17E—C17—H17F	109.5	C25C—C22C—P1C	109.14 (18)
C12—C19—H19	107.8	C25C—C22C—C23C	108.3 (2)
C12—C19—C21	109.9 (2)	C24C—C22C—P1C	117.16 (19)
C12—C19—C20	113.5 (2)	C24C—C22C—C23C	107.7 (2)
C21—C19—H19	107.8	C24C—C22C—C25C	109.7 (2)
C21—C19—C20	110.0 (2)	C22C—C23C—H23G	109.5
C20—C19—H19	107.8	C22C—C23C—H23H	109.5
C19—C21—H21D	109.5	C22C—C23C—H23I	109.5
C19—C21—H21E	109.5	H23G—C23C—H23H	109.5
C19—C21—H21F	109.5	H23G—C23C—H23I	109.5
H21D—C21—H21E	109.5	H23H—C23C—H23I	109.5
H21D—C21—H21F	109.5	C22C—C25C—H25G	109.5
H21E—C21—H21F	109.5	C22C—C25C—H25H	109.5
C19—C20—H20D	109.5	C22C—C25C—H25I	109.5
C19—C20—H20E	109.5	H25G—C25C—H25H	109.5
C19—C20—H20F	109.5	H25G—C25C—H25I	109.5
H20D—C20—H20E	109.5	H25H—C25C—H25I	109.5
H20D—C20—H20F	109.5	C22C—C24C—H24G	109.5
H20E—C20—H20F	109.5	C22C—C24C—H24H	109.5
Cl1B—Cu1B—P1B	159.50 (3)	C22C—C24C—H24I	109.5
C1B—P1B—Cu1B	116.42 (8)	H24G—C24C—H24H	109.5
C1B—P1B—C22B	106.36 (11)	H24G—C24C—H24I	109.5
C1B—P1B—C26B	106.94 (11)	H24H—C24C—H24I	109.5
C22B—P1B—Cu1B	108.50 (7)	C27C—C26C—P1C	106.76 (17)
C26B—P1B—Cu1B	107.82 (8)	C27C—C26C—C28C	107.7 (2)
C26B—P1B—C22B	110.79 (11)	C29C—C26C—P1C	109.15 (17)
C6B—C1B—P1B	119.27 (18)	C29C—C26C—C27C	107.8 (2)
C6B—C1B—C2B	118.4 (2)	C29C—C26C—C28C	108.7 (2)
C2B—C1B—P1B	122.19 (17)	C28C—C26C—P1C	116.35 (18)
C1B—C6B—H6B	118.8	C26C—C27C—H27G	109.5
C5B—C6B—C1B	122.3 (2)	C26C—C27C—H27H	109.5
C5B—C6B—H6B	118.8	C26C—C27C—H27I	109.5
C6B—C5B—H5B	120.5	H27G—C27C—H27H	109.5
C6B—C5B—C4B	119.0 (2)	H27G—C27C—H27I	109.5
C4B—C5B—H5B	120.5	H27H—C27C—H27I	109.5
C5B—C4B—H4B	120.1	C26C—C29C—H29G	109.5
C3B—C4B—C5B	119.8 (2)	C26C—C29C—H29H	109.5
C3B—C4B—H4B	120.1	C26C—C29C—H29I	109.5
C4B—C3B—H3B	118.9	H29G—C29C—H29H	109.5
C4B—C3B—C2B	122.2 (2)	H29G—C29C—H29I	109.5
C2B—C3B—H3B	118.9	H29H—C29C—H29I	109.5
C1B—C2B—C7B	123.8 (2)	C26C—C28C—H28G	109.5
C3B—C2B—C1B	118.2 (2)	C26C—C28C—H28H	109.5
C3B—C2B—C7B	118.0 (2)	C26C—C28C—H28I	109.5
C8B—C7B—C2B	121.2 (2)	H28G—C28C—H28H	109.5
C8B—C7B—C12B	119.3 (2)	H28G—C28C—H28I	109.5
C12B—C7B—C2B	119.3 (2)	H28H—C28C—H28I	109.5
C7B—C8B—C13B	121.6 (2)	C12C—C19C—H19C	107.8
C9B—C8B—C7B	118.9 (2)	C12C—C19C—C20C	114.2 (2)
C9B—C8B—C13B	119.4 (2)	C12C—C19C—C21C	109.0 (2)
C8B—C9B—H9B	118.8	C20C—C19C—H19C	107.8
C10B—C9B—C8B	122.3 (3)	C20C—C19C—C21C	110.0 (2)
C10B—C9B—H9B	118.8	C21C—C19C—H19C	107.8
C9B—C10B—C16B	107.5 (6)	C19C—C20C—H20G	109.5
C9B—C10B—C30B	126.5 (3)	C19C—C20C—H20H	109.5
C11B—C10B—C9B	118.2 (2)	C19C—C20C—H20I	109.5
C11B—C10B—C16B	132.4 (6)	H20G—C20C—H20H	109.5
C11B—C10B—C30B	115.2 (3)	H20G—C20C—H20I	109.5
C10B—C11B—H11B	118.8	H20H—C20C—H20I	109.5
C10B—C11B—C12B	122.4 (3)	C19C—C21C—H21G	109.5
C12B—C11B—H11B	118.8	C19C—C21C—H21H	109.5
C7B—C12B—C19B	122.4 (2)	C19C—C21C—H21I	109.5
C11B—C12B—C7B	118.7 (2)	H21G—C21C—H21H	109.5
C11B—C12B—C19B	118.6 (2)	H21G—C21C—H21I	109.5
C23B—C22B—P1B	109.18 (16)	H21H—C21C—H21I	109.5
C23B—C22B—C24B	108.6 (2)	C10C—C16C—H16C	106.1
C23B—C22B—C25B	107.7 (2)	C18C—C16C—C10C	110.6 (2)
C24B—C22B—P1B	116.43 (17)	C18C—C16C—H16C	106.1
C25B—C22B—P1B	106.35 (16)	C17C—C16C—C10C	114.7 (2)
C25B—C22B—C24B	108.3 (2)	C17C—C16C—H16C	106.1
C22B—C23B—H23A	109.5	C17C—C16C—C18C	112.6 (2)
C22B—C23B—H23B	109.5	C16C—C18C—H18G	109.5
C22B—C23B—H23C	109.5	C16C—C18C—H18H	109.5
H23A—C23B—H23B	109.5	C16C—C18C—H18I	109.5
H23A—C23B—H23C	109.5	H18G—C18C—H18H	109.5
H23B—C23B—H23C	109.5	H18G—C18C—H18I	109.5
C22B—C24B—H24A	109.5	H18H—C18C—H18I	109.5
C22B—C24B—H24B	109.5	C16C—C17C—H17G	109.5
C22B—C24B—H24C	109.5	C16C—C17C—H17H	109.5
H24A—C24B—H24B	109.5	C16C—C17C—H17I	109.5
H24A—C24B—H24C	109.5	H17G—C17C—H17H	109.5
H24B—C24B—H24C	109.5	H17G—C17C—H17I	109.5
C22B—C25B—H25A	109.5	H17H—C17C—H17I	109.5
C22B—C25B—H25B	109.5	C8C—C13C—H13C	108.0
C22B—C25B—H25C	109.5	C8C—C13C—C14C	114.3 (2)
H25A—C25B—H25B	109.5	C8C—C13C—C15C	109.6 (2)
H25A—C25B—H25C	109.5	C14C—C13C—H13C	108.0
H25B—C25B—H25C	109.5	C15C—C13C—H13C	108.0
C28B—C26B—P1B	108.51 (18)	C15C—C13C—C14C	108.6 (2)
C27B—C26B—P1B	117.10 (19)	C13C—C14C—H14G	109.5
C27B—C26B—C28B	110.0 (2)	C13C—C14C—H14H	109.5
C27B—C26B—C29B	107.9 (2)	C13C—C14C—H14I	109.5
C29B—C26B—P1B	104.86 (18)	H14G—C14C—H14H	109.5
C29B—C26B—C28B	108.1 (2)	H14G—C14C—H14I	109.5
C26B—C28B—H28A	109.5	H14H—C14C—H14I	109.5
C26B—C28B—H28B	109.5	C13C—C15C—H15G	109.5
C26B—C28B—H28C	109.5	C13C—C15C—H15H	109.5
H28A—C28B—H28B	109.5	C13C—C15C—H15I	109.5
H28A—C28B—H28C	109.5	H15G—C15C—H15H	109.5
H28B—C28B—H28C	109.5	H15G—C15C—H15I	109.5
C26B—C27B—H27A	109.5	H15H—C15C—H15I	109.5
C26B—C27B—H27B	109.5
Cu1—P1—C1—C6	173.18 (16)	C7B—C12B—C19B—C20B	141.9 (3)
Cu1—P1—C1—C2	−2.7 (2)	C8B—C7B—C12B—C11B	−5.2 (4)
Cu1—P1—C22—C23	−91.23 (16)	C8B—C7B—C12B—C19B	168.7 (2)
Cu1—P1—C22—C24	145.79 (16)	C8B—C9B—C10B—C11B	−2.4 (4)
Cu1—P1—C22—C25	25.29 (18)	C8B—C9B—C10B—C16B	−168.8 (5)
Cu1—P1—C26—C29	54.81 (19)	C8B—C9B—C10B—C30B	173.2 (3)
Cu1—P1—C26—C28	−60.34 (19)	C9B—C8B—C13B—C15B	−78.2 (3)
Cu1—P1—C26—C27	174.55 (18)	C9B—C8B—C13B—C14B	45.3 (3)
P1—C1—C6—C5	−174.13 (19)	C9B—C10B—C11B—C12B	1.5 (4)
P1—C1—C2—C3	172.87 (18)	C9B—C10B—C16B—C17B	−111.1 (11)
P1—C1—C2—C7	−8.3 (3)	C9B—C10B—C16B—C18B	140 (2)
C1—P1—C22—C23	33.82 (19)	C9B—C10B—C30B—C31B	−25.0 (7)
C1—P1—C22—C24	−89.2 (2)	C9B—C10B—C30B—C32B	102.6 (7)
C1—P1—C22—C25	150.34 (16)	C10B—C11B—C12B—C7B	2.3 (4)
C1—P1—C26—C29	−68.7 (2)	C10B—C11B—C12B—C19B	−171.9 (3)
C1—P1—C26—C28	176.17 (18)	C11B—C10B—C16B—C17B	85.1 (11)
C1—P1—C26—C27	51.1 (2)	C11B—C10B—C16B—C18B	−24 (2)
C1—C6—C5—C4	0.8 (4)	C11B—C10B—C30B—C31B	150.7 (5)
C1—C2—C7—C8	90.3 (3)	C11B—C10B—C30B—C32B	−81.6 (8)
C1—C2—C7—C12	−96.1 (3)	C11B—C12B—C19B—C21B	79.1 (3)
C6—C1—C2—C3	−3.0 (3)	C11B—C12B—C19B—C20B	−44.1 (4)
C6—C1—C2—C7	175.8 (2)	C12B—C7B—C8B—C9B	4.4 (4)
C6—C5—C4—C3	−2.2 (4)	C12B—C7B—C8B—C13B	−170.2 (2)
C5—C4—C3—C2	1.0 (4)	C22B—P1B—C1B—C6B	49.5 (2)
C4—C3—C2—C1	1.7 (4)	C22B—P1B—C1B—C2B	−125.9 (2)
C4—C3—C2—C7	−177.3 (2)	C22B—P1B—C26B—C28B	59.4 (2)
C3—C2—C7—C8	−90.9 (3)	C22B—P1B—C26B—C27B	−65.9 (2)
C3—C2—C7—C12	82.7 (3)	C22B—P1B—C26B—C29B	174.64 (17)
C2—C1—C6—C5	1.9 (4)	C26B—P1B—C1B—C6B	−68.9 (2)
C2—C7—C8—C9	177.4 (2)	C26B—P1B—C1B—C2B	115.6 (2)
C2—C7—C8—C13	3.2 (3)	C26B—P1B—C22B—C23B	151.47 (17)
C2—C7—C12—C11	−177.9 (2)	C26B—P1B—C22B—C24B	28.1 (2)
C2—C7—C12—C19	−4.1 (4)	C26B—P1B—C22B—C25B	−92.56 (18)
C7—C8—C9—C10	−0.8 (4)	C13B—C8B—C9B—C10B	174.1 (2)
C7—C8—C13—C15	101.1 (3)	C16B—C10B—C11B—C12B	163.9 (7)
C7—C8—C13—C14	−135.2 (2)	C30B—C10B—C11B—C12B	−174.6 (3)
C7—C12—C19—C21	−96.6 (3)	Cu1C—P1C—C1C—C6C	−169.47 (16)
C7—C12—C19—C20	139.8 (3)	Cu1C—P1C—C1C—C2C	6.3 (2)
C8—C7—C12—C11	−4.2 (4)	Cu1C—P1C—C22C—C23C	−59.45 (18)
C8—C7—C12—C19	169.6 (2)	Cu1C—P1C—C22C—C25C	56.2 (2)
C8—C9—C10—C11	−1.8 (4)	Cu1C—P1C—C22C—C24C	−178.48 (19)
C8—C9—C10—C16	178.5 (2)	Cu1C—P1C—C26C—C27C	−25.04 (19)
C9—C8—C13—C15	−73.1 (3)	Cu1C—P1C—C26C—C29C	91.24 (16)
C9—C8—C13—C14	50.6 (3)	Cu1C—P1C—C26C—C28C	−145.30 (17)
C9—C10—C11—C12	1.4 (4)	P1C—C1C—C6C—C5C	173.22 (19)
C9—C10—C16—C18	117.7 (3)	P1C—C1C—C2C—C3C	−171.33 (17)
C9—C10—C16—C17	−119.0 (3)	P1C—C1C—C2C—C7C	12.3 (3)
C10—C11—C12—C7	1.6 (4)	C1C—P1C—C22C—C23C	66.78 (19)
C10—C11—C12—C19	−172.4 (2)	C1C—P1C—C22C—C25C	−177.60 (18)
C11—C10—C16—C18	−61.9 (3)	C1C—P1C—C22C—C24C	−52.2 (2)
C11—C10—C16—C17	61.3 (3)	C1C—P1C—C26C—C27C	−152.10 (17)
C11—C12—C19—C21	77.2 (3)	C1C—P1C—C26C—C29C	−35.82 (19)
C11—C12—C19—C20	−46.3 (3)	C1C—P1C—C26C—C28C	87.6 (2)
C12—C7—C8—C9	3.8 (3)	C1C—C6C—C5C—C4C	−0.8 (4)
C12—C7—C8—C13	−170.4 (2)	C1C—C2C—C7C—C12C	−85.6 (3)
C22—P1—C1—C6	51.1 (2)	C1C—C2C—C7C—C8C	95.3 (3)
C22—P1—C1—C2	−124.8 (2)	C6C—C1C—C2C—C3C	4.4 (3)
C22—P1—C26—C29	175.06 (17)	C6C—C1C—C2C—C7C	−171.9 (2)
C22—P1—C26—C28	59.9 (2)	C6C—C5C—C4C—C3C	2.3 (4)
C22—P1—C26—C27	−65.2 (2)	C5C—C4C—C3C—C2C	−0.4 (4)
C26—P1—C1—C6	−68.1 (2)	C4C—C3C—C2C—C1C	−3.0 (3)
C26—P1—C1—C2	116.0 (2)	C4C—C3C—C2C—C7C	173.5 (2)
C26—P1—C22—C23	150.13 (17)	C3C—C2C—C7C—C12C	98.0 (3)
C26—P1—C22—C24	27.2 (2)	C3C—C2C—C7C—C8C	−81.0 (3)
C26—P1—C22—C25	−93.36 (18)	C2C—C1C—C6C—C5C	−2.7 (4)
C13—C8—C9—C10	173.6 (2)	C2C—C7C—C12C—C11C	174.9 (2)
C16—C10—C11—C12	−179.0 (2)	C2C—C7C—C12C—C19C	−12.0 (3)
Cu1B—P1B—C1B—C6B	170.55 (16)	C2C—C7C—C8C—C9C	−174.3 (2)
Cu1B—P1B—C1B—C2B	−4.9 (2)	C2C—C7C—C8C—C13C	9.7 (3)
Cu1B—P1B—C22B—C23B	−90.35 (16)	C7C—C12C—C11C—C10C	0.3 (4)
Cu1B—P1B—C22B—C24B	146.32 (16)	C7C—C12C—C19C—C20C	144.7 (2)
Cu1B—P1B—C22B—C25B	25.61 (18)	C7C—C12C—C19C—C21C	−91.8 (3)
Cu1B—P1B—C26B—C28B	−59.23 (19)	C7C—C8C—C13C—C14C	−146.8 (2)
Cu1B—P1B—C26B—C27B	175.55 (18)	C7C—C8C—C13C—C15C	91.0 (3)
Cu1B—P1B—C26B—C29B	56.06 (19)	C12C—C7C—C8C—C9C	6.7 (4)
P1B—C1B—C6B—C5B	−173.53 (19)	C12C—C7C—C8C—C13C	−169.3 (2)
P1B—C1B—C2B—C3B	172.44 (18)	C12C—C11C—C10C—C9C	4.7 (4)
P1B—C1B—C2B—C7B	−9.7 (3)	C12C—C11C—C10C—C16C	−175.4 (2)
C1B—P1B—C22B—C23B	35.60 (18)	C11C—C12C—C19C—C20C	−42.2 (3)
C1B—P1B—C22B—C24B	−87.7 (2)	C11C—C12C—C19C—C21C	81.2 (3)
C1B—P1B—C22B—C25B	151.57 (17)	C11C—C10C—C9C—C8C	−4.0 (4)
C1B—P1B—C26B—C28B	174.86 (17)	C11C—C10C—C16C—C18C	−111.6 (3)
C1B—P1B—C26B—C27B	49.6 (2)	C11C—C10C—C16C—C17C	17.1 (4)
C1B—P1B—C26B—C29B	−69.8 (2)	C10C—C9C—C8C—C7C	−1.6 (4)
C1B—C6B—C5B—C4B	0.2 (4)	C10C—C9C—C8C—C13C	174.5 (2)
C1B—C2B—C7B—C8B	90.0 (3)	C9C—C10C—C16C—C18C	68.3 (4)
C1B—C2B—C7B—C12B	−94.8 (3)	C9C—C10C—C16C—C17C	−163.0 (3)
C6B—C1B—C2B—C3B	−3.1 (3)	C9C—C8C—C13C—C14C	37.2 (3)
C6B—C1B—C2B—C7B	174.8 (2)	C9C—C8C—C13C—C15C	−85.0 (3)
C6B—C5B—C4B—C3B	−1.5 (4)	C8C—C7C—C12C—C11C	−6.0 (3)
C5B—C4B—C3B—C2B	0.5 (4)	C8C—C7C—C12C—C19C	167.1 (2)
C4B—C3B—C2B—C1B	1.9 (4)	C22C—P1C—C1C—C6C	71.5 (2)
C4B—C3B—C2B—C7B	−176.2 (2)	C22C—P1C—C1C—C2C	−112.8 (2)
C3B—C2B—C7B—C8B	−92.1 (3)	C22C—P1C—C26C—C27C	91.98 (19)
C3B—C2B—C7B—C12B	83.1 (3)	C22C—P1C—C26C—C29C	−151.74 (17)
C2B—C1B—C6B—C5B	2.1 (4)	C22C—P1C—C26C—C28C	−28.3 (2)
C2B—C7B—C8B—C9B	179.7 (2)	C26C—P1C—C1C—C6C	−48.7 (2)
C2B—C7B—C8B—C13B	5.0 (4)	C26C—P1C—C1C—C2C	127.0 (2)
C2B—C7B—C12B—C11B	179.4 (2)	C26C—P1C—C22C—C23C	−177.18 (16)
C2B—C7B—C12B—C19B	−6.6 (4)	C26C—P1C—C22C—C25C	−61.6 (2)
C7B—C8B—C9B—C10B	−0.6 (4)	C26C—P1C—C22C—C24C	63.8 (2)
C7B—C8B—C13B—C15B	96.4 (3)	C19C—C12C—C11C—C10C	−172.9 (2)
C7B—C8B—C13B—C14B	−140.1 (2)	C16C—C10C—C9C—C8C	176.1 (2)
C7B—C12B—C19B—C21B	−94.8 (3)

Bromido[2-(di-tert-butylphosphanyl)-2',4',6'-triisopropylbiphenyl-κP]copper(I) (C2)

Crystal data

[CuBr(C29H45P)]	F(000) = 1192.0
Mr = 568.10	Dx = 1.336 Mg m^−3
Monoclinic, Pc	Cu Kα radiation, λ = 1.54178 Å
a = 18.7714 (11) Å	Cell parameters from 9603 reflections
b = 8.5313 (5) Å	θ = 4.7–75.4°
c = 19.0871 (11) Å	µ = 3.37 mm^−1
β = 112.476 (2)°	T = 100 K
V = 2824.5 (3) Å^3	Block, colourless
Z = 4	0.28 × 0.15 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer	11153 reflections with I ≥ 2u(I)
φ and ω scans	θmax = 76.1°, θmin = 2.6°
Absorption correction: multi-scan (SADABS; Bruker, 2016)	h = −23→23
Tmin = 0.549, Tmax = 0.754	k = −10→10
11361 measured reflections	l = −23→23
11361 independent reflections

Refinement

Refinement on F^2	H atoms treated by a mixture of independent and constrained refinement
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0908P)^2 + 7.2741P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.055	(Δ/σ)max = 0.001
wR(F^2) = 0.145	Δρmax = 0.68 e Å^−3
S = 1.03	Δρmin = −0.72 e Å^−3
11361 reflections	Extinction correction: SHELXL2018 (Sheldrick 2015a), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
624 parameters	Extinction coefficient: 0.00226 (18)
20 restraints	Absolute structure: Flack (1983)
143 constraints	Absolute structure parameter: 0.013 (13)

Special details

Refinement. The X-ray data for complexes 2–4 was collected at 100 K on a Bruker D8 Venture diffractometer equipped with a IµS Diamond microfocus X-ray source. Crystals were mounted on MiTeGen mylar loops using Fomblin Y. Data was collected and processed using APEX3 (Bruker, 2016). The structures were solved by SHELXT and refined using olex2.refine in OLEX2 (Sheldrick, 2015a; Dolomanov et al., 2009).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Br1	−0.33488 (3)	0.38340 (6)	0.28143 (3)	0.02207 (14)
Br1B	0.34641 (4)	1.11287 (7)	0.42682 (3)	0.03055 (16)
Cu1B	0.32131 (5)	0.98717 (9)	0.51864 (4)	0.02276 (18)
Cu1	−0.32309 (5)	0.44702 (9)	0.39981 (4)	0.02147 (18)
P1B	0.33794 (7)	0.93652 (15)	0.63607 (7)	0.0172 (2)
P1	−0.36150 (8)	0.51885 (15)	0.48920 (7)	0.0175 (2)
C19	−0.1310 (3)	0.4631 (6)	0.5728 (3)	0.0190 (10)
H19	−0.1682 (3)	0.4964 (6)	0.5959 (3)	0.0227 (12)*
C13	−0.2629 (3)	0.9003 (6)	0.3836 (3)	0.0201 (10)
H13	−0.2907 (3)	0.9168 (6)	0.4185 (3)	0.0241 (12)*
C10	−0.1329 (3)	0.5655 (6)	0.3772 (3)	0.0197 (10)
C26B	0.3301 (3)	1.1314 (6)	0.6795 (3)	0.0247 (12)
C19B	0.0764 (3)	0.9863 (7)	0.5356 (3)	0.0236 (11)
H19B	0.1111 (3)	0.9693 (7)	0.5898 (3)	0.0284 (14)*
C11B	0.0954 (3)	0.9785 (7)	0.4123 (3)	0.0235 (11)
H11B	0.0574 (3)	1.0585 (7)	0.3954 (3)	0.0282 (13)*
C16	−0.0926 (3)	0.5148 (7)	0.3253 (3)	0.0229 (11)
H16	−0.1121 (3)	0.5829 (7)	0.2791 (3)	0.0275 (13)*
C11	−0.1205 (3)	0.4898 (6)	0.4453 (3)	0.0218 (11)
H11	−0.0873 (3)	0.4012 (6)	0.4589 (3)	0.0262 (13)*
C9	−0.1814 (3)	0.6951 (6)	0.3594 (3)	0.0195 (10)
H9	−0.1900 (3)	0.7495 (6)	0.3135 (3)	0.0234 (12)*
C9B	0.1795 (3)	0.7987 (7)	0.3866 (3)	0.0257 (11)
H9B	0.2002 (3)	0.7557 (7)	0.3526 (3)	0.0308 (14)*
C13B	0.2543 (3)	0.5936 (6)	0.4805 (3)	0.0211 (10)
H13B	0.2760 (3)	0.5823 (6)	0.5369 (3)	0.0253 (12)*
C25	−0.5165 (3)	0.4985 (7)	0.3914 (4)	0.0282 (13)
H25d	−0.4953 (11)	0.436 (4)	0.361 (2)	0.0423 (19)*
H25e	−0.529 (2)	0.430 (4)	0.4260 (4)	0.0423 (19)*
H25f	−0.5632 (11)	0.5524 (7)	0.358 (2)	0.0423 (19)*
C2B	0.2017 (3)	0.7481 (6)	0.5920 (3)	0.0166 (9)
C12B	0.1178 (3)	0.9264 (6)	0.4862 (3)	0.0196 (10)
C14B	0.3219 (3)	0.6017 (7)	0.4546 (4)	0.0288 (12)
H14a	0.3022 (3)	0.602 (5)	0.3991 (4)	0.0432 (18)*
H14b	0.3515 (16)	0.698 (3)	0.474 (2)	0.0432 (18)*
H14c	0.3552 (15)	0.510 (3)	0.474 (2)	0.0432 (18)*
C5	−0.2693 (3)	0.8563 (6)	0.6524 (3)	0.0227 (10)
H5	−0.2797 (3)	0.8954 (6)	0.6942 (3)	0.0272 (12)*
C1B	0.2685 (3)	0.8053 (6)	0.6524 (3)	0.0198 (10)
C8B	0.2041 (3)	0.7384 (7)	0.4606 (3)	0.0212 (10)
C15	−0.2072 (3)	1.0384 (7)	0.3941 (4)	0.0295 (12)
H15d	−0.1699 (19)	1.041 (4)	0.4467 (8)	0.0442 (18)*
H15e	−0.180 (2)	1.026 (3)	0.360 (2)	0.0442 (18)*
H15f	−0.2363 (5)	1.1368 (9)	0.382 (3)	0.0442 (18)*
C6	−0.3140 (3)	0.7360 (6)	0.6079 (3)	0.0222 (10)
H6	−0.3558 (3)	0.6952 (6)	0.6188 (3)	0.0266 (12)*
C22B	0.4371 (3)	0.8459 (6)	0.6857 (3)	0.0209 (10)
C2	−0.2359 (3)	0.7327 (6)	0.5318 (3)	0.0179 (9)
C7	−0.2060 (3)	0.6687 (6)	0.4744 (3)	0.0164 (9)
C8	−0.2180 (3)	0.7487 (6)	0.4060 (3)	0.0192 (10)
C6B	0.2840 (3)	0.7470 (7)	0.7259 (3)	0.0250 (11)
H6B	0.3276 (3)	0.7860 (7)	0.7669 (3)	0.0300 (13)*
C5B	0.2382 (3)	0.6351 (7)	0.7402 (3)	0.0281 (12)
H5B	0.2502 (3)	0.5988 (7)	0.7905 (3)	0.0337 (14)*
C26	−0.3718 (3)	0.3594 (6)	0.5543 (3)	0.0204 (10)
C22	−0.4566 (3)	0.6201 (6)	0.4374 (3)	0.0213 (11)
C25B	0.4898 (3)	0.9133 (7)	0.6481 (3)	0.0268 (11)
H25a	0.5403 (9)	0.862 (4)	0.6692 (19)	0.0403 (17)*
H25b	0.4665 (13)	0.895 (5)	0.5933 (5)	0.0403 (17)*
H25c	0.496 (2)	1.0263 (12)	0.658 (2)	0.0403 (17)*
C4B	0.1745 (3)	0.5758 (7)	0.6807 (3)	0.0279 (12)
H4B	0.1433 (3)	0.4969 (7)	0.6898 (3)	0.0335 (14)*
C20	−0.1315 (3)	0.2848 (6)	0.5689 (3)	0.0241 (11)
H20d	−0.0895 (16)	0.2491 (7)	0.554 (2)	0.0361 (16)*
H20e	−0.124 (3)	0.2416 (6)	0.6187 (7)	0.0361 (16)*
H20f	−0.1809 (10)	0.2490 (7)	0.5313 (19)	0.0361 (16)*
C29	−0.2954 (3)	0.3377 (7)	0.6210 (3)	0.0274 (11)
H29d	−0.2849 (14)	0.430 (3)	0.6539 (15)	0.0410 (17)*
H29e	−0.2982 (10)	0.245 (3)	0.6498 (16)	0.0410 (17)*
H29f	−0.2540 (5)	0.325 (6)	0.6022 (4)	0.0410 (17)*
C1	−0.2986 (3)	0.6741 (6)	0.5475 (3)	0.0185 (10)
C27B	0.3314 (3)	1.1234 (7)	0.7600 (3)	0.0261 (12)
H27a	0.2907 (3)	1.0526 (7)	0.7609 (3)	0.0391 (17)*
H27b	0.3816 (3)	1.0841 (7)	0.7945 (3)	0.0391 (17)*
H27c	0.3228 (3)	1.2284 (7)	0.7761 (3)	0.0391 (17)*
C24	−0.4877 (3)	0.7195 (7)	0.4860 (3)	0.0267 (11)
H24d	−0.497 (3)	0.6526 (12)	0.5235 (18)	0.0400 (17)*
H24e	−0.4500 (12)	0.801 (4)	0.512 (2)	0.0400 (17)*
H24f	−0.5362 (14)	0.769 (4)	0.4535 (5)	0.0400 (17)*
C4	−0.2100 (3)	0.9184 (7)	0.6359 (3)	0.0227 (11)
H4	−0.1802 (3)	1.0026 (7)	0.6652 (3)	0.0272 (13)*
C21	−0.0500 (3)	0.5218 (7)	0.6241 (3)	0.0283 (12)
H21d	−0.0355 (12)	0.477 (5)	0.6749 (8)	0.0424 (18)*
H21e	−0.0125 (6)	0.489 (5)	0.6025 (15)	0.0424 (18)*
H21f	−0.0504 (8)	0.6364 (8)	0.627 (2)	0.0424 (18)*
C7B	0.1756 (3)	0.8081 (6)	0.5122 (3)	0.0168 (9)
C3B	0.1570 (3)	0.6336 (6)	0.6076 (3)	0.0229 (11)
H3B	0.1131 (3)	0.5936 (6)	0.5673 (3)	0.0275 (13)*
C23	−0.4418 (3)	0.7302 (7)	0.3809 (3)	0.0295 (12)
H23d	−0.401 (2)	0.805 (4)	0.4086 (4)	0.0443 (18)*
H23e	−0.425 (3)	0.6686 (9)	0.3463 (18)	0.0443 (18)*
H23f	−0.4893 (8)	0.787 (4)	0.352 (2)	0.0443 (18)*
C12	−0.1551 (3)	0.5395 (6)	0.4947 (3)	0.0166 (9)
C17	−0.1125 (4)	0.3448 (8)	0.2991 (4)	0.0355 (14)
H17d	−0.093 (3)	0.2748 (10)	0.3431 (6)	0.053 (2)*
H17e	−0.1686 (4)	0.3335 (17)	0.274 (3)	0.053 (2)*
H17f	−0.089 (3)	0.318 (2)	0.263 (2)	0.053 (2)*
C3	−0.1937 (3)	0.8572 (6)	0.5760 (3)	0.0208 (10)
H3	−0.1528 (3)	0.9013 (6)	0.5647 (3)	0.0250 (12)*
C23B	0.4299 (3)	0.6698 (7)	0.6709 (3)	0.0281 (12)
H23a	0.406 (3)	0.6508 (7)	0.6162 (4)	0.0421 (18)*
H23b	0.4813 (4)	0.6220 (11)	0.691 (3)	0.0421 (18)*
H23c	0.398 (2)	0.6236 (11)	0.696 (2)	0.0421 (18)*
C18	−0.0059 (3)	0.5385 (8)	0.3627 (4)	0.0309 (13)
H18d	0.0053 (4)	0.6501 (11)	0.374 (3)	0.0463 (19)*
H18e	0.0145 (5)	0.479 (5)	0.4100 (14)	0.0463 (19)*
H18f	0.0185 (4)	0.502 (5)	0.3284 (12)	0.0463 (19)*
C20B	0.0576 (3)	1.1616 (7)	0.5247 (4)	0.0295 (12)
H20a	0.1026 (10)	1.2189 (10)	0.524 (3)	0.0443 (18)*
H20b	0.0138 (19)	1.1780 (9)	0.4766 (14)	0.0443 (18)*
H20c	0.044 (3)	1.2001 (15)	0.5666 (15)	0.0443 (18)*
C27	−0.4359 (3)	0.3837 (7)	0.5860 (3)	0.0257 (11)
H27d	−0.4253 (14)	0.479 (3)	0.617 (2)	0.0386 (17)*
H27e	−0.4860 (5)	0.393 (5)	0.5439 (3)	0.0386 (17)*
H27f	−0.4368 (17)	0.294 (2)	0.618 (2)	0.0386 (17)*
C29B	0.2512 (3)	1.1967 (7)	0.6277 (4)	0.0330 (13)
H29a	0.2491 (11)	1.205 (6)	0.5757 (7)	0.050 (2)*
H29b	0.2104 (4)	1.126 (3)	0.629 (2)	0.050 (2)*
H29c	0.2439 (13)	1.301 (3)	0.6457 (18)	0.050 (2)*
C24B	0.4761 (3)	0.8746 (7)	0.7717 (3)	0.0239 (11)
H24a	0.5260 (12)	0.821 (4)	0.7916 (5)	0.0358 (17)*
H24b	0.484 (2)	0.9873 (8)	0.7814 (3)	0.0358 (17)*
H24c	0.4431 (12)	0.834 (5)	0.7968 (4)	0.0358 (17)*
C15B	0.2045 (3)	0.4497 (7)	0.4469 (4)	0.0276 (12)
H15a	0.179 (2)	0.462 (3)	0.3918 (5)	0.0414 (18)*
H15b	0.2370 (6)	0.3558 (9)	0.459 (2)	0.0414 (18)*
H15c	0.1651 (18)	0.440 (3)	0.469 (2)	0.0414 (18)*
C14	−0.3228 (3)	0.9002 (7)	0.3023 (3)	0.0282 (12)
H14d	−0.3542 (18)	0.995 (3)	0.2936 (9)	0.0423 (18)*
H14e	−0.2964 (3)	0.897 (6)	0.2668 (3)	0.0423 (18)*
H14f	−0.3560 (17)	0.808 (3)	0.2944 (9)	0.0423 (18)*
C28B	0.3926 (4)	1.2404 (6)	0.6755 (4)	0.0306 (12)
H28a	0.4433 (4)	1.201 (3)	0.709 (2)	0.0460 (18)*
H28b	0.3897 (19)	1.245 (5)	0.6232 (6)	0.0460 (18)*
H28c	0.3851 (17)	1.3455 (15)	0.692 (3)	0.0460 (18)*
C28	−0.3900 (4)	0.2066 (7)	0.5062 (3)	0.0302 (12)
H28d	−0.4389 (15)	0.219 (2)	0.4627 (16)	0.0453 (18)*
H28e	−0.3486 (15)	0.186 (3)	0.488 (2)	0.0453 (18)*
H28f	−0.394 (3)	0.1186 (13)	0.5375 (9)	0.0453 (18)*
C21B	0.0022 (3)	0.8920 (8)	0.5199 (4)	0.0320 (13)
H21a	−0.0312 (14)	0.901 (5)	0.4661 (7)	0.048 (2)*
H21b	0.0153 (4)	0.7816 (13)	0.533 (3)	0.048 (2)*
H21c	−0.0248 (16)	0.933 (4)	0.551 (2)	0.048 (2)*
C10B	0.1255 (4)	0.9200 (8)	0.3615 (3)	0.0283 (12)
C18B	0.0061 (9)	0.932 (2)	0.2378 (8)	0.041 (3)	0.500000
H18a	−0.0230 (11)	1.001 (10)	0.258 (5)	0.061 (4)*	0.500000
H18b	−0.0110 (17)	0.948 (13)	0.1830 (11)	0.061 (4)*	0.500000
H18c	−0.0027 (12)	0.822 (4)	0.248 (6)	0.061 (4)*	0.500000
C16B	0.0915 (11)	0.969 (3)	0.2756 (11)	0.0335 (16)	0.500000
H16B	0.1197 (11)	0.911 (3)	0.2486 (11)	0.040 (2)*	0.500000
C32B	0.0528 (15)	0.873 (2)	0.2277 (8)	0.071 (7)	0.500000
H32a	0.0403 (15)	0.915 (2)	0.1765 (8)	0.106 (11)*	0.500000
H32b	0.0773 (15)	0.770 (2)	0.2321 (8)	0.106 (11)*	0.500000
H32c	0.0054 (15)	0.863 (2)	0.2375 (8)	0.106 (11)*	0.500000
C17B	0.1067 (11)	1.137 (2)	0.2737 (10)	0.039 (3)	0.500000
H17a	0.1624 (12)	1.154 (2)	0.291 (6)	0.058 (4)*	0.500000
H17b	0.081 (6)	1.176 (3)	0.2218 (15)	0.058 (4)*	0.500000
H17c	0.087 (6)	1.193 (3)	0.307 (5)	0.058 (4)*	0.500000
C30B	0.1078 (11)	0.985 (3)	0.2855 (11)	0.0335 (16)	0.500000
H30B	0.1570 (11)	0.987 (3)	0.2765 (11)	0.040 (2)*	0.500000
C31B	0.0733 (11)	1.1527 (18)	0.2708 (9)	0.040 (4)	0.500000
H31a	0.108 (3)	1.225 (3)	0.308 (4)	0.060 (6)*	0.500000
H31b	0.066 (6)	1.186 (6)	0.219 (2)	0.060 (6)*	0.500000
H31c	0.023 (3)	1.153 (3)	0.276 (6)	0.060 (6)*	0.500000

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Br1	0.0240 (3)	0.0278 (3)	0.0162 (2)	−0.0010 (2)	0.0098 (2)	−0.0033 (2)
Br1B	0.0448 (4)	0.0308 (3)	0.0220 (3)	0.0018 (3)	0.0195 (3)	0.0042 (2)
Cu1B	0.0261 (4)	0.0263 (4)	0.0174 (4)	0.0028 (3)	0.0100 (3)	0.0037 (3)
Cu1	0.0264 (4)	0.0246 (4)	0.0176 (4)	0.0017 (3)	0.0130 (3)	−0.0026 (3)
P1B	0.0199 (6)	0.0169 (6)	0.0149 (6)	−0.0008 (5)	0.0068 (5)	0.0013 (5)
P1	0.0181 (6)	0.0198 (6)	0.0170 (6)	0.0010 (5)	0.0096 (5)	−0.0004 (5)
C19	0.020 (2)	0.022 (2)	0.017 (2)	0.0038 (19)	0.010 (2)	0.004 (2)
C13	0.025 (2)	0.020 (2)	0.019 (3)	0.0030 (19)	0.013 (2)	0.0028 (19)
C10	0.018 (2)	0.024 (3)	0.019 (2)	−0.002 (2)	0.0092 (19)	−0.003 (2)
C26B	0.026 (3)	0.019 (2)	0.024 (3)	0.000 (2)	0.003 (2)	0.000 (2)
C19B	0.018 (2)	0.030 (3)	0.022 (3)	0.006 (2)	0.006 (2)	−0.003 (2)
C11B	0.024 (3)	0.025 (3)	0.020 (3)	0.010 (2)	0.007 (2)	0.004 (2)
C16	0.024 (3)	0.030 (3)	0.019 (3)	0.003 (2)	0.013 (2)	−0.003 (2)
C11	0.025 (3)	0.016 (2)	0.024 (3)	0.0014 (19)	0.009 (2)	−0.0029 (19)
C9	0.019 (2)	0.021 (2)	0.017 (2)	−0.0008 (19)	0.0059 (19)	−0.0015 (19)
C9B	0.032 (3)	0.031 (3)	0.020 (3)	0.002 (2)	0.017 (2)	−0.001 (2)
C13B	0.017 (2)	0.024 (3)	0.023 (3)	0.0013 (19)	0.009 (2)	−0.003 (2)
C25	0.022 (3)	0.032 (3)	0.028 (3)	−0.002 (2)	0.006 (2)	−0.001 (2)
C2B	0.015 (2)	0.020 (2)	0.016 (2)	0.0006 (18)	0.0085 (18)	−0.0019 (18)
C12B	0.018 (2)	0.020 (2)	0.022 (3)	0.0002 (19)	0.009 (2)	−0.002 (2)
C14B	0.019 (3)	0.033 (3)	0.037 (3)	0.000 (2)	0.014 (2)	−0.006 (2)
C5	0.032 (3)	0.021 (2)	0.018 (2)	0.004 (2)	0.013 (2)	0.0000 (19)
C1B	0.020 (2)	0.024 (2)	0.016 (2)	0.0023 (19)	0.0072 (19)	−0.0011 (19)
C8B	0.019 (2)	0.028 (3)	0.020 (2)	0.000 (2)	0.010 (2)	−0.005 (2)
C15	0.028 (3)	0.023 (3)	0.034 (3)	0.006 (2)	0.008 (2)	0.004 (2)
C6	0.026 (3)	0.022 (2)	0.021 (2)	0.001 (2)	0.013 (2)	0.000 (2)
C22B	0.023 (2)	0.019 (2)	0.023 (3)	−0.0012 (19)	0.011 (2)	−0.003 (2)
C2	0.019 (2)	0.018 (2)	0.017 (2)	0.0040 (18)	0.0078 (19)	0.0026 (18)
C7	0.017 (2)	0.017 (2)	0.017 (2)	0.0020 (18)	0.0090 (19)	−0.0014 (18)
C8	0.017 (2)	0.023 (2)	0.018 (2)	−0.0017 (19)	0.0076 (18)	−0.0009 (19)
C6B	0.029 (3)	0.031 (3)	0.014 (2)	−0.004 (2)	0.008 (2)	−0.001 (2)
C5B	0.032 (3)	0.034 (3)	0.018 (3)	−0.009 (2)	0.009 (2)	0.004 (2)
C26	0.027 (3)	0.018 (2)	0.024 (3)	−0.0015 (19)	0.019 (2)	0.0002 (19)
C22	0.020 (2)	0.022 (3)	0.025 (3)	−0.0002 (19)	0.012 (2)	0.001 (2)
C25B	0.026 (3)	0.029 (3)	0.024 (3)	−0.001 (2)	0.008 (2)	0.000 (2)
C4B	0.029 (3)	0.029 (3)	0.029 (3)	−0.005 (2)	0.014 (2)	0.003 (2)
C20	0.029 (3)	0.022 (3)	0.025 (3)	0.004 (2)	0.015 (2)	0.004 (2)
C29	0.024 (3)	0.027 (3)	0.032 (3)	−0.003 (2)	0.012 (2)	0.006 (2)
C1	0.025 (2)	0.017 (2)	0.017 (2)	0.0051 (19)	0.011 (2)	0.0050 (18)
C27B	0.029 (3)	0.035 (3)	0.015 (3)	0.002 (2)	0.010 (2)	−0.008 (2)
C24	0.022 (3)	0.030 (3)	0.031 (3)	0.005 (2)	0.014 (2)	−0.001 (2)
C4	0.027 (3)	0.022 (2)	0.020 (3)	−0.001 (2)	0.010 (2)	−0.004 (2)
C21	0.028 (3)	0.034 (3)	0.023 (3)	−0.004 (2)	0.010 (2)	0.002 (2)
C7B	0.014 (2)	0.017 (2)	0.019 (2)	0.0013 (18)	0.0075 (18)	−0.0013 (18)
C3B	0.025 (3)	0.027 (3)	0.019 (3)	−0.001 (2)	0.012 (2)	−0.001 (2)
C23	0.026 (3)	0.031 (3)	0.032 (3)	0.001 (2)	0.011 (2)	0.010 (2)
C12	0.014 (2)	0.020 (2)	0.017 (2)	−0.0003 (18)	0.0081 (19)	−0.001 (2)
C17	0.034 (3)	0.043 (4)	0.036 (3)	−0.006 (3)	0.021 (3)	−0.022 (3)
C3	0.025 (2)	0.021 (2)	0.019 (2)	−0.002 (2)	0.012 (2)	0.001 (2)
C23B	0.027 (3)	0.022 (3)	0.029 (3)	−0.001 (2)	0.003 (2)	−0.004 (2)
C18	0.027 (3)	0.036 (3)	0.037 (3)	−0.007 (2)	0.022 (3)	−0.007 (3)
C20B	0.028 (3)	0.030 (3)	0.032 (3)	0.012 (2)	0.013 (2)	−0.002 (2)
C27	0.025 (3)	0.031 (3)	0.025 (3)	−0.003 (2)	0.014 (2)	0.002 (2)
C29B	0.032 (3)	0.030 (3)	0.031 (3)	0.012 (2)	0.005 (3)	−0.001 (2)
C24B	0.022 (3)	0.027 (3)	0.017 (3)	−0.001 (2)	0.002 (2)	−0.0009 (19)
C15B	0.024 (3)	0.021 (3)	0.037 (3)	−0.001 (2)	0.011 (2)	−0.001 (2)
C14	0.024 (3)	0.038 (3)	0.023 (3)	0.003 (2)	0.011 (2)	0.009 (2)
C28B	0.042 (3)	0.018 (2)	0.033 (3)	−0.006 (2)	0.016 (3)	−0.002 (2)
C28	0.043 (3)	0.021 (3)	0.027 (3)	−0.004 (2)	0.014 (3)	−0.002 (2)
C21B	0.020 (3)	0.038 (3)	0.037 (3)	0.002 (2)	0.010 (2)	−0.003 (3)
C10B	0.034 (3)	0.032 (3)	0.018 (2)	0.006 (2)	0.009 (2)	0.0026 (18)
C18B	0.043 (4)	0.044 (5)	0.027 (4)	−0.003 (3)	0.003 (2)	0.010 (3)
C16B	0.041 (4)	0.038 (3)	0.017 (3)	−0.001 (2)	0.007 (2)	0.004 (2)
C32B	0.122 (19)	0.048 (10)	0.016 (7)	−0.036 (11)	−0.003 (9)	−0.001 (6)
C17B	0.044 (6)	0.039 (4)	0.026 (4)	−0.001 (3)	0.005 (3)	0.007 (2)
C30B	0.041 (4)	0.038 (3)	0.017 (3)	−0.001 (2)	0.007 (2)	0.004 (2)
C31B	0.048 (9)	0.039 (7)	0.027 (7)	0.017 (7)	0.006 (7)	0.016 (6)

Geometric parameters (Å, º)

Br1—Cu1	2.2510 (9)	C13B—C15B	1.527 (7)
Br1B—Cu1B	2.2528 (10)	C25—C22	1.535 (8)
Cu1B—P1B	2.1847 (15)	C2B—C1B	1.426 (7)
Cu1—P1	2.1788 (15)	C2B—C7B	1.501 (7)
P1B—C26B	1.888 (6)	C2B—C3B	1.393 (7)
P1B—C1B	1.833 (5)	C12B—C7B	1.425 (7)
P1B—C22B	1.901 (5)	C5—C6	1.391 (8)
P1—C26	1.901 (5)	C5—C4	1.375 (8)
P1—C22	1.888 (5)	C1B—C6B	1.409 (7)
P1—C1	1.839 (5)	C8B—C7B	1.418 (7)
C19—C20	1.522 (8)	C6—C1	1.395 (7)
C19—C21	1.544 (8)	C22B—C25B	1.539 (8)
C19—C12	1.527 (7)	C22B—C23B	1.525 (7)
C13—C15	1.538 (8)	C22B—C24B	1.539 (7)
C13—C8	1.513 (7)	C2—C7	1.512 (7)
C13—C14	1.529 (8)	C2—C1	1.412 (7)
C10—C16	1.521 (7)	C2—C3	1.398 (7)
C10—C11	1.390 (8)	C7—C8	1.412 (7)
C10—C9	1.390 (7)	C7—C12	1.412 (7)
C26B—C27B	1.529 (8)	C6B—C5B	1.381 (8)
C26B—C29B	1.536 (8)	C5B—C4B	1.393 (8)
C26B—C28B	1.521 (8)	C26—C29	1.522 (8)
C19B—C12B	1.520 (7)	C26—C27	1.554 (7)
C19B—C20B	1.532 (8)	C26—C28	1.555 (7)
C19B—C21B	1.536 (8)	C22—C24	1.527 (7)
C11B—C12B	1.383 (8)	C22—C23	1.533 (7)
C11B—C10B	1.389 (8)	C4B—C3B	1.395 (8)
C16—C17	1.532 (8)	C4—C3	1.393 (7)
C16—C18	1.521 (8)	C10B—C16B	1.571 (19)
C11—C12	1.401 (7)	C10B—C30B	1.47 (2)
C9—C8	1.393 (7)	C18B—C16B	1.52 (2)
C9B—C8B	1.404 (8)	C16B—C17B	1.47 (3)
C9B—C10B	1.399 (8)	C32B—C30B	1.52 (2)
C13B—C14B	1.528 (7)	C30B—C31B	1.55 (3)
C13B—C8B	1.512 (7)
P1B—Cu1B—Br1B	154.42 (5)	C1—C6—C5	121.1 (5)
P1—Cu1—Br1	156.77 (5)	C25B—C22B—P1B	107.3 (4)
C26B—P1B—Cu1B	105.74 (19)	C23B—C22B—P1B	107.9 (4)
C1B—P1B—Cu1B	117.62 (17)	C23B—C22B—C25B	108.0 (5)
C1B—P1B—C26B	106.5 (3)	C24B—C22B—P1B	116.3 (4)
C22B—P1B—Cu1B	108.70 (17)	C24B—C22B—C25B	108.0 (4)
C22B—P1B—C26B	111.4 (2)	C24B—C22B—C23B	109.1 (5)
C22B—P1B—C1B	106.9 (2)	C1—C2—C7	126.6 (5)
C26—P1—Cu1	117.20 (17)	C3—C2—C7	115.5 (4)
C22—P1—Cu1	104.40 (18)	C3—C2—C1	117.8 (5)
C22—P1—C26	110.9 (2)	C8—C7—C2	121.5 (4)
C1—P1—Cu1	110.39 (17)	C12—C7—C2	118.8 (4)
C1—P1—C26	108.8 (2)	C12—C7—C8	119.0 (4)
C1—P1—C22	104.3 (2)	C9—C8—C13	117.2 (5)
C21—C19—C20	109.9 (4)	C7—C8—C13	123.3 (4)
C12—C19—C20	112.6 (4)	C7—C8—C9	119.2 (5)
C12—C19—C21	109.5 (4)	C5B—C6B—C1B	122.3 (5)
C8—C13—C15	109.9 (4)	C4B—C5B—C6B	119.7 (5)
C14—C13—C15	109.4 (5)	C29—C26—P1	109.6 (4)
C14—C13—C8	113.6 (5)	C27—C26—P1	116.5 (4)
C11—C10—C16	122.1 (5)	C27—C26—C29	108.2 (5)
C9—C10—C16	120.7 (5)	C28—C26—P1	105.6 (4)
C9—C10—C11	117.2 (5)	C28—C26—C29	108.5 (5)
C27B—C26B—P1B	115.3 (4)	C28—C26—C27	108.3 (5)
C29B—C26B—P1B	104.8 (4)	C25—C22—P1	109.2 (4)
C29B—C26B—C27B	107.7 (5)	C24—C22—P1	116.1 (4)
C28B—C26B—P1B	109.0 (4)	C24—C22—C25	110.9 (4)
C28B—C26B—C27B	111.2 (5)	C23—C22—P1	105.0 (4)
C28B—C26B—C29B	108.6 (5)	C23—C22—C25	107.6 (5)
C20B—C19B—C12B	113.0 (5)	C23—C22—C24	107.5 (4)
C21B—C19B—C12B	110.1 (5)	C3B—C4B—C5B	119.2 (5)
C21B—C19B—C20B	109.9 (5)	C6—C1—P1	119.0 (4)
C10B—C11B—C12B	123.4 (5)	C2—C1—P1	121.4 (4)
C17—C16—C10	111.2 (5)	C2—C1—C6	119.6 (5)
C18—C16—C10	111.4 (5)	C3—C4—C5	119.7 (5)
C18—C16—C17	111.3 (5)	C12B—C7B—C2B	120.3 (4)
C12—C11—C10	122.4 (5)	C8B—C7B—C2B	119.9 (4)
C8—C9—C10	122.9 (5)	C8B—C7B—C12B	119.7 (5)
C10B—C9B—C8B	122.2 (5)	C4B—C3B—C2B	122.1 (5)
C8B—C13B—C14B	113.4 (5)	C11—C12—C19	119.1 (4)
C15B—C13B—C14B	110.6 (5)	C7—C12—C19	121.2 (4)
C15B—C13B—C8B	109.2 (4)	C7—C12—C11	119.3 (5)
C7B—C2B—C1B	123.3 (4)	C4—C3—C2	121.9 (5)
C3B—C2B—C1B	118.8 (5)	C9B—C10B—C11B	117.5 (5)
C3B—C2B—C7B	117.8 (4)	C16B—C10B—C11B	121.4 (11)
C11B—C12B—C19B	119.7 (5)	C16B—C10B—C9B	120.4 (11)
C7B—C12B—C19B	121.6 (5)	C30B—C10B—C11B	123.8 (11)
C7B—C12B—C11B	118.5 (5)	C30B—C10B—C9B	118.6 (11)
C4—C5—C6	119.8 (5)	C30B—C10B—C16B	11.6 (12)
C2B—C1B—P1B	122.3 (4)	C18B—C16B—C10B	112.0 (15)
C6B—C1B—P1B	119.7 (4)	C17B—C16B—C10B	106.3 (13)
C6B—C1B—C2B	117.8 (5)	C17B—C16B—C18B	111.9 (18)
C13B—C8B—C9B	119.0 (5)	C32B—C30B—C10B	108.2 (14)
C7B—C8B—C9B	118.6 (5)	C31B—C30B—C10B	116.6 (17)
C7B—C8B—C13B	122.2 (5)	C31B—C30B—C32B	109.0 (15)
P1B—C1B—C2B—C7B	−9.7 (5)	C11B—C10B—C30B—C31B	17.6 (11)
P1B—C1B—C2B—C3B	172.0 (4)	C11—C12—C7—C2	−173.1 (5)
P1B—C1B—C6B—C5B	−173.0 (5)	C11—C12—C7—C8	−2.7 (6)
P1—C1—C6—C5	−178.3 (4)	C9—C8—C7—C2	172.2 (4)
P1—C1—C2—C7	−7.5 (5)	C9—C8—C7—C12	2.1 (6)
P1—C1—C2—C3	176.2 (4)	C9B—C8B—C13B—C14B	47.8 (6)
C19—C12—C11—C10	−172.5 (5)	C9B—C8B—C13B—C15B	−76.0 (6)
C19—C12—C7—C2	0.8 (5)	C9B—C8B—C7B—C2B	−179.0 (5)
C19—C12—C7—C8	171.2 (5)	C9B—C8B—C7B—C12B	5.9 (6)
C13—C8—C9—C10	174.1 (4)	C9B—C10B—C16B—C18B	113.1 (12)
C13—C8—C7—C2	−1.8 (6)	C9B—C10B—C16B—C17B	−124.4 (14)
C13—C8—C7—C12	−171.9 (5)	C9B—C10B—C30B—C32B	78.8 (15)
C10—C11—C12—C7	1.5 (6)	C9B—C10B—C30B—C31B	−158.0 (12)
C10—C9—C8—C7	−0.2 (6)	C13B—C8B—C7B—C2B	6.3 (6)
C19B—C12B—C11B—C10B	−174.3 (5)	C13B—C8B—C7B—C12B	−168.8 (5)
C19B—C12B—C7B—C2B	−4.9 (6)	C2B—C1B—C6B—C5B	1.6 (6)
C19B—C12B—C7B—C8B	170.2 (5)	C2B—C3B—C4B—C5B	0.6 (6)
C11B—C12B—C7B—C2B	180.0 (5)	C5—C6—C1—C2	1.0 (6)
C11B—C12B—C7B—C8B	−4.9 (6)	C5—C4—C3—C2	−0.4 (6)
C11B—C10B—C9B—C8B	−1.0 (7)	C1B—C6B—C5B—C4B	0.4 (7)
C11B—C10B—C16B—C18B	−57.5 (11)	C6—C1—C2—C7	173.2 (4)
C11B—C10B—C16B—C17B	65.1 (13)	C6—C1—C2—C3	−3.1 (6)
C11B—C10B—C30B—C32B	−105.6 (15)	C6B—C5B—C4B—C3B	−1.6 (7)

[2-(Di-tert-butylphosphanyl)-2',4',6'-triisopropylbiphenyl-κP]iodidocopper(I) (C3)

Crystal data

[CuI(C29H45P)]	F(000) = 1264
Mr = 615.06	Dx = 1.405 Mg m^−3
Monoclinic, Pc	Cu Kα radiation, λ = 1.54178 Å
a = 18.925 (2) Å	Cell parameters from 9229 reflections
b = 8.5213 (10) Å	θ = 2.5–75.2°
c = 19.528 (2) Å	µ = 10.00 mm^−1
β = 112.622 (4)°	T = 100 K
V = 2906.8 (6) Å^3	Block, colourless
Z = 4	0.2 × 0.2 × 0.1 mm

Data collection

Bruker APEXII CCD diffractometer	11537 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.052
φ and ω scans	θmax = 76.2°, θmin = 2.5°
Absorption correction: analytical (APEX3; Bruker, 2019)	h = −23→23
Tmin = 0.165, Tmax = 0.627	k = −10→9
108198 measured reflections	l = −24→24
11688 independent reflections

Refinement

Refinement on F^2	H-atom parameters constrained
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0873P)^2 + 7.7216P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.050	(Δ/σ)max < 0.001
wR(F^2) = 0.136	Δρmax = 1.21 e Å^−3
S = 1.09	Δρmin = −1.17 e Å^−3
11688 reflections	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
603 parameters	Extinction coefficient: 0.00216 (16)
2 restraints	Absolute structure: Refined as an inversion twin.
Primary atom site location: dual	Absolute structure parameter: 0.049 (6)
Hydrogen site location: inferred from neighbouring sites

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component inversion twin.

The X-ray data for complexes 2–4 was collected at 100 K on a Bruker D8 Venture diffractometer equipped with a IµS Diamond microfocus X-ray source. Crystals were mounted on MiTeGen mylar loops using Fomblin Y. Data was collected and processed using APEX3 (Bruker, 2016). The structures were solved by SHELXT and refined using olex2.refine in OLEX2 (Sheldrick, 2015a; Dolomanov et al., 2009).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
I1	0.33785 (3)	0.39294 (6)	0.71667 (2)	0.02983 (16)
I1B	−0.35299 (3)	1.12393 (6)	0.56673 (3)	0.03191 (17)
Cu1	0.31794 (8)	0.46298 (15)	0.59118 (7)	0.0321 (3)
Cu1B	−0.31534 (8)	0.98356 (16)	0.47813 (7)	0.0331 (3)
P1	0.36087 (11)	0.5279 (2)	0.50573 (11)	0.0230 (4)
P1B	−0.33453 (11)	0.9411 (2)	0.36105 (11)	0.0232 (4)
C19B	−0.0761 (5)	0.9985 (11)	0.4633 (5)	0.0301 (18)
H19B	−0.109864	0.980813	0.410054	0.036*
C1	0.2976 (5)	0.6797 (9)	0.4479 (4)	0.0230 (15)
C1B	−0.2636 (5)	0.8128 (9)	0.3474 (5)	0.0272 (16)
C11B	−0.0973 (5)	0.9938 (10)	0.5830 (5)	0.0299 (17)
H11B	−0.059117	1.072908	0.600339	0.036*
C9	0.1798 (5)	0.6960 (11)	0.6308 (5)	0.0311 (17)
H9	0.187987	0.750789	0.675626	0.037*
C8B	−0.2042 (5)	0.7543 (10)	0.5342 (5)	0.0252 (15)
C6	0.3118 (5)	0.7447 (10)	0.3885 (4)	0.0263 (16)
H6	0.354121	0.707105	0.378523	0.032*
C11	0.1203 (5)	0.4912 (11)	0.5470 (6)	0.0331 (19)
H11	0.087593	0.402118	0.533928	0.040*
C13B	−0.2530 (5)	0.6048 (9)	0.5150 (5)	0.0283 (18)
H13B	−0.274142	0.591942	0.459899	0.034*
C2B	−0.1984 (4)	0.7581 (9)	0.4072 (4)	0.0236 (15)
C12B	−0.1179 (4)	0.9376 (10)	0.5102 (5)	0.0256 (16)
C10	0.1319 (5)	0.5659 (12)	0.6129 (6)	0.0338 (19)
C2	0.2340 (4)	0.7346 (9)	0.4619 (4)	0.0222 (14)
C6B	−0.2765 (5)	0.7556 (10)	0.2753 (4)	0.0290 (17)
H6B	−0.319092	0.794217	0.234309	0.035*
C22B	−0.4317 (5)	0.8465 (10)	0.3113 (5)	0.0262 (16)
C25B	−0.4853 (5)	0.9130 (12)	0.3469 (6)	0.0334 (19)
H25D	−0.463690	0.891543	0.400318	0.050*
H25E	−0.535701	0.863067	0.324363	0.050*
H25F	−0.490692	1.026542	0.338655	0.050*
C19	0.1293 (5)	0.4653 (10)	0.4217 (5)	0.0308 (18)
H19	0.166390	0.498244	0.399227	0.037*
C9B	−0.1830 (5)	0.8167 (11)	0.6050 (5)	0.0314 (18)
H9B	−0.205265	0.774572	0.637103	0.038*
C12	0.1542 (5)	0.5399 (9)	0.4979 (5)	0.0258 (16)
C13	0.2612 (5)	0.9012 (10)	0.6077 (5)	0.0295 (17)
H13	0.290085	0.916443	0.574740	0.035*
C25	0.5141 (5)	0.5088 (12)	0.6041 (5)	0.036 (2)
H25A	0.524919	0.433001	0.571697	0.055*
H25B	0.493355	0.453685	0.636333	0.055*
H25C	0.561486	0.562855	0.634676	0.055*
C26	0.3720 (5)	0.3633 (10)	0.4451 (5)	0.0289 (17)
C7	0.2051 (4)	0.6694 (10)	0.5187 (5)	0.0234 (15)
C16	0.0935 (7)	0.5168 (13)	0.6647 (7)	0.045 (2)
H16	0.115927	0.585322	0.709502	0.054*
C15B	−0.2011 (5)	0.4639 (10)	0.5493 (6)	0.0347 (19)
H15D	−0.162372	0.454802	0.527670	0.052*
H15E	−0.231988	0.367991	0.539172	0.052*
H15F	−0.175759	0.478907	0.603067	0.052*
C28B	−0.3271 (6)	1.1307 (10)	0.2410 (5)	0.034 (2)
H28D	−0.372611	1.074817	0.207700	0.052*
H28E	−0.281006	1.075877	0.242579	0.052*
H28F	−0.327235	1.237914	0.222850	0.052*
C3B	−0.1520 (5)	0.6445 (11)	0.3936 (5)	0.0289 (17)
H3B	−0.108749	0.605796	0.433910	0.035*
C23B	−0.4225 (5)	0.6712 (11)	0.3279 (6)	0.0352 (19)
H23D	−0.388556	0.625905	0.305860	0.053*
H23E	−0.472684	0.620048	0.306839	0.053*
H23F	−0.400355	0.654934	0.381738	0.053*
C14B	−0.3201 (6)	0.6076 (11)	0.5401 (6)	0.037 (2)
H14D	−0.300629	0.605361	0.594443	0.055*
H14E	−0.352720	0.515747	0.520112	0.055*
H14F	−0.350106	0.703464	0.521921	0.055*
C21B	−0.0020 (6)	0.9058 (13)	0.4794 (6)	0.040 (2)
H21D	0.029478	0.910169	0.532681	0.061*
H21E	0.026402	0.951744	0.451663	0.061*
H21F	−0.014444	0.796266	0.464329	0.061*
C28	0.4351 (6)	0.3844 (11)	0.4147 (6)	0.033 (2)
H28A	0.484526	0.398473	0.456082	0.049*
H28B	0.423849	0.476985	0.382512	0.049*
H28C	0.437209	0.291214	0.386158	0.049*
C10B	−0.1306 (5)	0.9379 (11)	0.6308 (5)	0.0310 (18)
C4	0.2062 (6)	0.9200 (11)	0.3596 (5)	0.0315 (18)
H4	0.175720	1.003395	0.330868	0.038*
C5	0.2664 (6)	0.8615 (10)	0.3440 (5)	0.0301 (18)
H5	0.276466	0.901062	0.303173	0.036*
C26B	−0.3279 (6)	1.1361 (10)	0.3193 (6)	0.0318 (19)
C21	0.0498 (6)	0.5280 (13)	0.3721 (6)	0.044 (2)
H21A	0.012342	0.496873	0.392932	0.067*
H21B	0.034839	0.484328	0.322065	0.067*
H21C	0.051567	0.642742	0.369697	0.067*
C24	0.4877 (5)	0.7228 (11)	0.5078 (6)	0.0347 (19)
H24A	0.536459	0.770858	0.539277	0.052*
H24B	0.451475	0.805033	0.480875	0.052*
H24C	0.496108	0.651607	0.472224	0.052*
C8	0.2166 (4)	0.7492 (10)	0.5850 (5)	0.0251 (15)
C20B	−0.0580 (6)	1.1749 (12)	0.4736 (5)	0.038 (2)
H20D	−0.102989	1.231780	0.473576	0.056*
H20E	−0.044456	1.213096	0.432882	0.056*
H20F	−0.014924	1.192165	0.520928	0.056*
C15	0.2064 (6)	1.0396 (11)	0.5953 (6)	0.039 (2)
H15A	0.171570	1.043464	0.543041	0.059*
H15B	0.235742	1.137466	0.608653	0.059*
H15C	0.176605	1.026791	0.626422	0.059*
C3	0.1904 (5)	0.8557 (10)	0.4178 (5)	0.0294 (17)
H3	0.148492	0.895845	0.427755	0.035*
C20	0.1287 (6)	0.2861 (11)	0.4240 (6)	0.040 (2)
H20A	0.177963	0.248308	0.459756	0.060*
H20B	0.120139	0.244451	0.374659	0.060*
H20C	0.087518	0.250634	0.439031	0.060*
C22	0.4550 (5)	0.6303 (10)	0.5563 (5)	0.0282 (17)
C27B	−0.3937 (6)	1.2422 (10)	0.3201 (6)	0.037 (2)
H27D	−0.386173	1.348958	0.305440	0.056*
H27E	−0.394044	1.244033	0.370109	0.056*
H27F	−0.442624	1.201056	0.285098	0.056*
C5B	−0.2290 (6)	0.6453 (12)	0.2629 (5)	0.035 (2)
H5B	−0.238366	0.609892	0.214051	0.042*
C27	0.3886 (6)	0.2135 (11)	0.4936 (6)	0.038 (2)
H27A	0.392122	0.122954	0.464121	0.057*
H27B	0.347091	0.196486	0.511082	0.057*
H27C	0.437082	0.226054	0.536328	0.057*
C24B	−0.4699 (6)	0.8727 (10)	0.2280 (5)	0.0306 (18)
H24D	−0.478743	0.985163	0.217814	0.046*
H24E	−0.518877	0.816823	0.208423	0.046*
H24F	−0.436509	0.832945	0.203950	0.046*
C23	0.4404 (6)	0.7469 (12)	0.6085 (6)	0.040 (2)
H23A	0.417991	0.692003	0.639394	0.059*
H23B	0.404976	0.828274	0.579364	0.059*
H23C	0.488885	0.795541	0.640270	0.059*
C29	0.2966 (5)	0.3412 (11)	0.3795 (6)	0.0329 (18)
H29A	0.290622	0.424043	0.342856	0.049*
H29B	0.254202	0.346897	0.396521	0.049*
H29C	0.296176	0.238553	0.356751	0.049*
C7B	−0.1742 (4)	0.8184 (9)	0.4847 (5)	0.0237 (15)
C16B	−0.1090 (7)	0.9992 (13)	0.7088 (6)	0.044 (2)
H16B	−0.158666	1.010963	0.715275	0.052*
C29B	−0.2513 (6)	1.2072 (12)	0.3710 (6)	0.042 (2)
H29D	−0.209027	1.147582	0.366416	0.063*
H29E	−0.247624	1.202647	0.422360	0.063*
H29F	−0.248367	1.316762	0.356999	0.063*
C4B	−0.1671 (5)	0.5870 (11)	0.3233 (5)	0.0334 (19)
H4B	−0.135404	0.507654	0.315977	0.040*
C14	0.3200 (6)	0.8988 (13)	0.6888 (6)	0.039 (2)
H14A	0.292879	0.897149	0.722581	0.058*
H14B	0.352221	0.992744	0.698249	0.058*
H14C	0.352136	0.804967	0.696837	0.058*
C17B	−0.0740 (9)	1.1574 (16)	0.7228 (7)	0.059 (3)
H17D	−0.071843	1.195852	0.770879	0.089*
H17E	−0.104977	1.229180	0.683520	0.089*
H17F	−0.022106	1.151782	0.723339	0.089*
C17	0.1120 (7)	0.3547 (17)	0.6918 (8)	0.056 (3)
H17A	0.088345	0.331588	0.727416	0.084*
H17B	0.167631	0.342966	0.716219	0.084*
H17C	0.092268	0.281777	0.649940	0.084*
C18	0.0086 (7)	0.5547 (18)	0.6319 (8)	0.056 (3)
H18A	−0.015871	0.497637	0.585052	0.084*
H18B	0.001617	0.667742	0.622579	0.084*
H18C	−0.014670	0.523068	0.666690	0.084*
C18B	−0.0654 (18)	0.883 (2)	0.7646 (9)	0.113 (9)
H18D	−0.014470	0.870582	0.763258	0.169*
H18E	−0.092342	0.782514	0.753889	0.169*
H18F	−0.060189	0.919617	0.813932	0.169*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I1	0.0326 (3)	0.0320 (3)	0.0257 (3)	0.0038 (2)	0.0123 (2)	0.0039 (2)
I1B	0.0435 (3)	0.0261 (3)	0.0315 (3)	0.0007 (2)	0.0205 (2)	−0.0020 (2)
Cu1	0.0434 (7)	0.0300 (7)	0.0298 (6)	−0.0034 (5)	0.0218 (6)	0.0009 (5)
Cu1B	0.0393 (7)	0.0355 (7)	0.0294 (6)	−0.0105 (5)	0.0186 (5)	−0.0107 (5)
P1	0.0259 (9)	0.0217 (9)	0.0249 (9)	0.0000 (7)	0.0135 (8)	0.0004 (7)
P1B	0.0273 (9)	0.0194 (9)	0.0230 (9)	0.0006 (7)	0.0098 (8)	−0.0017 (7)
C19B	0.029 (4)	0.035 (5)	0.030 (4)	−0.009 (3)	0.014 (3)	−0.006 (3)
C1	0.033 (4)	0.020 (4)	0.019 (3)	−0.002 (3)	0.014 (3)	−0.002 (3)
C1B	0.029 (4)	0.019 (4)	0.031 (4)	−0.004 (3)	0.010 (3)	0.002 (3)
C11B	0.034 (4)	0.029 (4)	0.025 (4)	−0.009 (3)	0.010 (3)	−0.005 (3)
C9	0.034 (4)	0.031 (4)	0.033 (4)	0.008 (3)	0.018 (4)	0.007 (3)
C8B	0.028 (4)	0.023 (4)	0.028 (4)	0.000 (3)	0.014 (3)	0.003 (3)
C6	0.039 (4)	0.026 (4)	0.022 (4)	−0.002 (3)	0.021 (3)	−0.001 (3)
C11	0.032 (4)	0.026 (4)	0.051 (5)	−0.004 (3)	0.027 (4)	0.004 (4)
C13B	0.028 (4)	0.020 (4)	0.039 (5)	−0.003 (3)	0.015 (4)	0.005 (3)
C2B	0.026 (4)	0.020 (4)	0.026 (4)	−0.003 (3)	0.011 (3)	0.003 (3)
C12B	0.024 (4)	0.025 (4)	0.027 (4)	−0.003 (3)	0.009 (3)	0.001 (3)
C10	0.031 (4)	0.033 (5)	0.044 (5)	0.008 (4)	0.022 (4)	0.013 (4)
C2	0.024 (3)	0.021 (4)	0.022 (3)	−0.004 (3)	0.010 (3)	−0.002 (3)
C6B	0.034 (4)	0.033 (4)	0.017 (3)	0.005 (3)	0.006 (3)	−0.001 (3)
C22B	0.025 (4)	0.021 (4)	0.030 (4)	0.001 (3)	0.009 (3)	0.002 (3)
C25B	0.030 (4)	0.032 (4)	0.038 (5)	−0.002 (4)	0.013 (4)	−0.003 (4)
C19	0.035 (4)	0.024 (4)	0.034 (4)	−0.004 (3)	0.015 (4)	−0.003 (3)
C9B	0.040 (5)	0.029 (4)	0.029 (4)	−0.003 (3)	0.017 (4)	−0.001 (3)
C12	0.025 (4)	0.020 (4)	0.037 (4)	0.002 (3)	0.017 (3)	0.003 (3)
C13	0.035 (4)	0.030 (4)	0.027 (4)	−0.001 (3)	0.015 (4)	−0.005 (3)
C25	0.032 (4)	0.044 (5)	0.033 (5)	0.004 (4)	0.012 (4)	0.000 (4)
C26	0.038 (5)	0.023 (4)	0.032 (4)	0.001 (3)	0.021 (4)	0.003 (3)
C7	0.025 (4)	0.021 (4)	0.028 (4)	0.000 (3)	0.014 (3)	0.002 (3)
C16	0.052 (6)	0.043 (6)	0.052 (6)	0.004 (5)	0.032 (5)	0.013 (5)
C15B	0.035 (4)	0.022 (4)	0.047 (5)	0.004 (3)	0.017 (4)	0.002 (4)
C28B	0.050 (5)	0.027 (4)	0.031 (5)	0.002 (4)	0.021 (4)	0.005 (3)
C3B	0.026 (4)	0.033 (4)	0.029 (4)	0.002 (3)	0.011 (3)	0.000 (3)
C23B	0.034 (4)	0.024 (4)	0.040 (5)	0.001 (3)	0.007 (4)	0.003 (4)
C14B	0.030 (4)	0.034 (5)	0.052 (6)	0.000 (3)	0.022 (4)	0.005 (4)
C21B	0.029 (4)	0.051 (6)	0.045 (6)	−0.005 (4)	0.019 (4)	0.001 (4)
C28	0.036 (5)	0.037 (5)	0.031 (5)	0.006 (3)	0.018 (4)	−0.002 (3)
C10B	0.038 (4)	0.029 (4)	0.031 (4)	−0.005 (4)	0.019 (4)	−0.001 (4)
C4	0.045 (5)	0.023 (4)	0.030 (4)	0.004 (4)	0.018 (4)	0.005 (3)
C5	0.049 (5)	0.022 (4)	0.029 (4)	0.000 (3)	0.026 (4)	0.005 (3)
C26B	0.040 (5)	0.021 (4)	0.036 (5)	0.003 (3)	0.017 (4)	−0.001 (3)
C21	0.038 (5)	0.038 (5)	0.049 (6)	0.002 (4)	0.008 (4)	−0.012 (4)
C24	0.028 (4)	0.036 (5)	0.046 (5)	−0.006 (3)	0.020 (4)	0.002 (4)
C8	0.023 (3)	0.028 (4)	0.027 (4)	0.004 (3)	0.013 (3)	0.003 (3)
C20B	0.041 (5)	0.038 (5)	0.035 (5)	−0.018 (4)	0.016 (4)	−0.002 (4)
C15	0.041 (5)	0.030 (5)	0.042 (5)	0.000 (4)	0.011 (4)	−0.006 (4)
C3	0.032 (4)	0.022 (4)	0.036 (5)	0.004 (3)	0.015 (4)	0.002 (3)
C20	0.048 (5)	0.023 (4)	0.056 (6)	−0.008 (4)	0.028 (5)	−0.007 (4)
C22	0.028 (4)	0.027 (4)	0.033 (4)	−0.002 (3)	0.016 (3)	−0.005 (3)
C27B	0.052 (5)	0.018 (4)	0.046 (5)	0.008 (4)	0.023 (4)	−0.002 (4)
C5B	0.041 (5)	0.037 (5)	0.031 (4)	0.009 (4)	0.018 (4)	−0.004 (4)
C27	0.049 (5)	0.026 (4)	0.044 (5)	0.006 (4)	0.022 (4)	0.004 (4)
C24B	0.039 (5)	0.027 (4)	0.023 (4)	0.004 (3)	0.010 (4)	0.000 (3)
C23	0.037 (5)	0.038 (5)	0.048 (5)	−0.005 (4)	0.021 (4)	−0.019 (4)
C29	0.035 (4)	0.026 (4)	0.043 (5)	−0.001 (3)	0.021 (4)	−0.003 (4)
C7B	0.022 (3)	0.020 (4)	0.030 (4)	0.001 (3)	0.011 (3)	0.004 (3)
C16B	0.055 (6)	0.047 (6)	0.033 (5)	−0.008 (5)	0.021 (4)	−0.005 (4)
C29B	0.050 (6)	0.030 (5)	0.045 (5)	−0.010 (4)	0.016 (5)	−0.003 (4)
C4B	0.036 (4)	0.028 (4)	0.039 (5)	0.005 (4)	0.018 (4)	−0.004 (4)
C14	0.038 (5)	0.044 (6)	0.032 (5)	0.005 (4)	0.011 (4)	−0.012 (4)
C17B	0.083 (9)	0.049 (7)	0.044 (6)	−0.014 (6)	0.022 (6)	−0.014 (5)
C17	0.044 (6)	0.075 (8)	0.057 (7)	0.014 (5)	0.029 (5)	0.037 (6)
C18	0.047 (6)	0.075 (8)	0.059 (7)	0.013 (6)	0.034 (5)	0.024 (6)
C18B	0.21 (3)	0.070 (11)	0.036 (7)	0.026 (12)	0.025 (11)	0.002 (6)

Geometric parameters (Å, º)

I1—Cu1	2.4068 (14)	C3B—H3B	0.9500
I1B—Cu1B	2.4249 (14)	C3B—C4B	1.380 (13)
Cu1—P1	2.189 (2)	C23B—H23D	0.9800
Cu1B—P1B	2.203 (2)	C23B—H23E	0.9800
P1—C1	1.828 (8)	C23B—H23F	0.9800
P1—C26	1.898 (9)	C14B—H14D	0.9800
P1—C22	1.886 (9)	C14B—H14E	0.9800
P1B—C1B	1.829 (9)	C14B—H14F	0.9800
P1B—C22B	1.898 (9)	C21B—H21D	0.9800
P1B—C26B	1.876 (10)	C21B—H21E	0.9800
C19B—H19B	1.0000	C21B—H21F	0.9800
C19B—C12B	1.514 (11)	C28—H28A	0.9800
C19B—C21B	1.533 (13)	C28—H28B	0.9800
C19B—C20B	1.538 (13)	C28—H28C	0.9800
C1—C6	1.401 (11)	C10B—C16B	1.510 (13)
C1—C2	1.413 (11)	C4—H4	0.9500
C1B—C2B	1.412 (11)	C4—C5	1.381 (13)
C1B—C6B	1.418 (12)	C4—C3	1.394 (12)
C11B—H11B	0.9500	C5—H5	0.9500
C11B—C12B	1.405 (12)	C26B—C27B	1.543 (13)
C11B—C10B	1.396 (13)	C26B—C29B	1.537 (14)
C9—H9	0.9500	C21—H21A	0.9800
C9—C10	1.389 (14)	C21—H21B	0.9800
C9—C8	1.403 (12)	C21—H21C	0.9800
C8B—C13B	1.532 (11)	C24—H24A	0.9800
C8B—C9B	1.390 (12)	C24—H24B	0.9800
C8B—C7B	1.406 (11)	C24—H24C	0.9800
C6—H6	0.9500	C24—C22	1.534 (12)
C6—C5	1.383 (12)	C20B—H20D	0.9800
C11—H11	0.9500	C20B—H20E	0.9800
C11—C10	1.376 (15)	C20B—H20F	0.9800
C11—C12	1.405 (12)	C15—H15A	0.9800
C13B—H13B	1.0000	C15—H15B	0.9800
C13B—C15B	1.532 (12)	C15—H15C	0.9800
C13B—C14B	1.528 (12)	C3—H3	0.9500
C2B—C3B	1.400 (12)	C20—H20A	0.9800
C2B—C7B	1.495 (11)	C20—H20B	0.9800
C12B—C7B	1.416 (11)	C20—H20C	0.9800
C10—C16	1.516 (13)	C22—C23	1.523 (12)
C2—C7	1.520 (10)	C27B—H27D	0.9800
C2—C3	1.393 (12)	C27B—H27E	0.9800
C6B—H6B	0.9500	C27B—H27F	0.9800
C6B—C5B	1.386 (12)	C5B—H5B	0.9500
C22B—C25B	1.541 (12)	C5B—C4B	1.395 (14)
C22B—C23B	1.524 (12)	C27—H27A	0.9800
C22B—C24B	1.522 (12)	C27—H27B	0.9800
C25B—H25D	0.9800	C27—H27C	0.9800
C25B—H25E	0.9800	C24B—H24D	0.9800
C25B—H25F	0.9800	C24B—H24E	0.9800
C19—H19	1.0000	C24B—H24F	0.9800
C19—C12	1.517 (13)	C23—H23A	0.9800
C19—C21	1.538 (13)	C23—H23B	0.9800
C19—C20	1.528 (13)	C23—H23C	0.9800
C9B—H9B	0.9500	C29—H29A	0.9800
C9B—C10B	1.385 (13)	C29—H29B	0.9800
C12—C7	1.418 (11)	C29—H29C	0.9800
C13—H13	1.0000	C16B—H16B	1.0000
C13—C8	1.516 (12)	C16B—C17B	1.480 (17)
C13—C15	1.528 (13)	C16B—C18B	1.47 (2)
C13—C14	1.546 (13)	C29B—H29D	0.9800
C25—H25A	0.9800	C29B—H29E	0.9800
C25—H25B	0.9800	C29B—H29F	0.9800
C25—H25C	0.9800	C4B—H4B	0.9500
C25—C22	1.546 (13)	C14—H14A	0.9800
C26—C28	1.535 (12)	C14—H14B	0.9800
C26—C27	1.548 (12)	C14—H14C	0.9800
C26—C29	1.520 (14)	C17B—H17D	0.9800
C7—C8	1.403 (11)	C17B—H17E	0.9800
C16—H16	1.0000	C17B—H17F	0.9800
C16—C17	1.472 (16)	C17—H17A	0.9800
C16—C18	1.517 (16)	C17—H17B	0.9800
C15B—H15D	0.9800	C17—H17C	0.9800
C15B—H15E	0.9800	C18—H18A	0.9800
C15B—H15F	0.9800	C18—H18B	0.9800
C28B—H28D	0.9800	C18—H18C	0.9800
C28B—H28E	0.9800	C18B—H18D	0.9800
C28B—H28F	0.9800	C18B—H18E	0.9800
C28B—C26B	1.536 (14)	C18B—H18F	0.9800
P1—Cu1—I1	151.64 (9)	H21E—C21B—H21F	109.5
P1B—Cu1B—I1B	147.71 (9)	C26—C28—H28A	109.5
C1—P1—Cu1	107.6 (3)	C26—C28—H28B	109.5
C1—P1—C26	110.0 (4)	C26—C28—H28C	109.5
C1—P1—C22	105.0 (4)	H28A—C28—H28B	109.5
C26—P1—Cu1	116.8 (3)	H28A—C28—H28C	109.5
C22—P1—Cu1	105.7 (3)	H28B—C28—H28C	109.5
C22—P1—C26	111.0 (4)	C11B—C10B—C16B	122.7 (8)
C1B—P1B—Cu1B	114.4 (3)	C9B—C10B—C11B	117.1 (8)
C1B—P1B—C22B	107.0 (4)	C9B—C10B—C16B	120.1 (8)
C1B—P1B—C26B	106.9 (4)	C5—C4—H4	120.3
C22B—P1B—Cu1B	109.9 (3)	C5—C4—C3	119.4 (8)
C26B—P1B—Cu1B	107.0 (3)	C3—C4—H4	120.3
C26B—P1B—C22B	111.6 (4)	C6—C5—H5	120.4
C12B—C19B—H19B	107.7	C4—C5—C6	119.2 (8)
C12B—C19B—C21B	110.4 (8)	C4—C5—H5	120.4
C12B—C19B—C20B	113.4 (7)	C28B—C26B—P1B	115.7 (6)
C21B—C19B—H19B	107.7	C28B—C26B—C27B	110.1 (8)
C21B—C19B—C20B	109.6 (8)	C28B—C26B—C29B	107.3 (8)
C20B—C19B—H19B	107.7	C27B—C26B—P1B	109.1 (7)
C6—C1—P1	120.2 (6)	C29B—C26B—P1B	105.6 (7)
C6—C1—C2	118.5 (7)	C29B—C26B—C27B	108.9 (8)
C2—C1—P1	121.3 (6)	C19—C21—H21A	109.5
C2B—C1B—P1B	122.2 (7)	C19—C21—H21B	109.5
C2B—C1B—C6B	118.0 (8)	C19—C21—H21C	109.5
C6B—C1B—P1B	119.6 (6)	H21A—C21—H21B	109.5
C12B—C11B—H11B	118.7	H21A—C21—H21C	109.5
C10B—C11B—H11B	118.7	H21B—C21—H21C	109.5
C10B—C11B—C12B	122.6 (8)	H24A—C24—H24B	109.5
C10—C9—H9	118.9	H24A—C24—H24C	109.5
C10—C9—C8	122.2 (9)	H24B—C24—H24C	109.5
C8—C9—H9	118.9	C22—C24—H24A	109.5
C9B—C8B—C13B	118.5 (8)	C22—C24—H24B	109.5
C9B—C8B—C7B	119.8 (8)	C22—C24—H24C	109.5
C7B—C8B—C13B	121.3 (8)	C9—C8—C13	116.6 (8)
C1—C6—H6	118.8	C9—C8—C7	119.5 (8)
C5—C6—C1	122.3 (8)	C7—C8—C13	123.7 (7)
C5—C6—H6	118.8	C19B—C20B—H20D	109.5
C10—C11—H11	118.3	C19B—C20B—H20E	109.5
C10—C11—C12	123.4 (8)	C19B—C20B—H20F	109.5
C12—C11—H11	118.3	H20D—C20B—H20E	109.5
C8B—C13B—H13B	108.0	H20D—C20B—H20F	109.5
C15B—C13B—C8B	108.7 (7)	H20E—C20B—H20F	109.5
C15B—C13B—H13B	108.0	C13—C15—H15A	109.5
C14B—C13B—C8B	114.0 (7)	C13—C15—H15B	109.5
C14B—C13B—H13B	108.0	C13—C15—H15C	109.5
C14B—C13B—C15B	110.1 (7)	H15A—C15—H15B	109.5
C1B—C2B—C7B	123.6 (7)	H15A—C15—H15C	109.5
C3B—C2B—C1B	118.9 (8)	H15B—C15—H15C	109.5
C3B—C2B—C7B	117.4 (7)	C2—C3—C4	122.3 (8)
C11B—C12B—C19B	119.3 (7)	C2—C3—H3	118.9
C11B—C12B—C7B	118.6 (8)	C4—C3—H3	118.9
C7B—C12B—C19B	122.0 (7)	C19—C20—H20A	109.5
C9—C10—C16	119.1 (10)	C19—C20—H20B	109.5
C11—C10—C9	117.4 (8)	C19—C20—H20C	109.5
C11—C10—C16	123.5 (9)	H20A—C20—H20B	109.5
C1—C2—C7	126.4 (7)	H20A—C20—H20C	109.5
C3—C2—C1	118.2 (7)	H20B—C20—H20C	109.5
C3—C2—C7	115.4 (7)	C25—C22—P1	109.0 (6)
C1B—C6B—H6B	119.0	C24—C22—P1	116.0 (7)
C5B—C6B—C1B	122.0 (8)	C24—C22—C25	110.3 (7)
C5B—C6B—H6B	119.0	C23—C22—P1	105.9 (6)
C25B—C22B—P1B	106.9 (6)	C23—C22—C25	107.9 (8)
C23B—C22B—P1B	107.3 (6)	C23—C22—C24	107.3 (8)
C23B—C22B—C25B	107.8 (8)	C26B—C27B—H27D	109.5
C24B—C22B—P1B	116.9 (6)	C26B—C27B—H27E	109.5
C24B—C22B—C25B	107.8 (7)	C26B—C27B—H27F	109.5
C24B—C22B—C23B	109.8 (7)	H27D—C27B—H27E	109.5
C22B—C25B—H25D	109.5	H27D—C27B—H27F	109.5
C22B—C25B—H25E	109.5	H27E—C27B—H27F	109.5
C22B—C25B—H25F	109.5	C6B—C5B—H5B	120.5
H25D—C25B—H25E	109.5	C6B—C5B—C4B	119.0 (8)
H25D—C25B—H25F	109.5	C4B—C5B—H5B	120.5
H25E—C25B—H25F	109.5	C26—C27—H27A	109.5
C12—C19—H19	107.9	C26—C27—H27B	109.5
C12—C19—C21	109.3 (8)	C26—C27—H27C	109.5
C12—C19—C20	113.1 (8)	H27A—C27—H27B	109.5
C21—C19—H19	107.9	H27A—C27—H27C	109.5
C20—C19—H19	107.9	H27B—C27—H27C	109.5
C20—C19—C21	110.4 (8)	C22B—C24B—H24D	109.5
C8B—C9B—H9B	118.7	C22B—C24B—H24E	109.5
C10B—C9B—C8B	122.6 (8)	C22B—C24B—H24F	109.5
C10B—C9B—H9B	118.7	H24D—C24B—H24E	109.5
C11—C12—C19	119.6 (8)	H24D—C24B—H24F	109.5
C11—C12—C7	118.2 (8)	H24E—C24B—H24F	109.5
C7—C12—C19	121.8 (7)	C22—C23—H23A	109.5
C8—C13—H13	107.7	C22—C23—H23B	109.5
C8—C13—C15	110.2 (7)	C22—C23—H23C	109.5
C8—C13—C14	112.8 (8)	H23A—C23—H23B	109.5
C15—C13—H13	107.7	H23A—C23—H23C	109.5
C15—C13—C14	110.4 (7)	H23B—C23—H23C	109.5
C14—C13—H13	107.7	C26—C29—H29A	109.5
H25A—C25—H25B	109.5	C26—C29—H29B	109.5
H25A—C25—H25C	109.5	C26—C29—H29C	109.5
H25B—C25—H25C	109.5	H29A—C29—H29B	109.5
C22—C25—H25A	109.5	H29A—C29—H29C	109.5
C22—C25—H25B	109.5	H29B—C29—H29C	109.5
C22—C25—H25C	109.5	C8B—C7B—C2B	121.0 (7)
C28—C26—P1	116.4 (6)	C8B—C7B—C12B	119.0 (8)
C28—C26—C27	109.2 (8)	C12B—C7B—C2B	119.9 (7)
C27—C26—P1	105.9 (6)	C10B—C16B—H16B	105.1
C29—C26—P1	108.9 (6)	C17B—C16B—C10B	115.5 (9)
C29—C26—C28	107.8 (8)	C17B—C16B—H16B	105.1
C29—C26—C27	108.5 (8)	C18B—C16B—C10B	111.9 (11)
C12—C7—C2	118.1 (7)	C18B—C16B—H16B	105.1
C8—C7—C2	121.7 (7)	C18B—C16B—C17B	113.0 (14)
C8—C7—C12	119.3 (7)	C26B—C29B—H29D	109.5
C10—C16—H16	105.7	C26B—C29B—H29E	109.5
C10—C16—C18	111.1 (9)	C26B—C29B—H29F	109.5
C17—C16—C10	113.0 (9)	H29D—C29B—H29E	109.5
C17—C16—H16	105.7	H29D—C29B—H29F	109.5
C17—C16—C18	114.7 (10)	H29E—C29B—H29F	109.5
C18—C16—H16	105.7	C3B—C4B—C5B	120.0 (8)
C13B—C15B—H15D	109.5	C3B—C4B—H4B	120.0
C13B—C15B—H15E	109.5	C5B—C4B—H4B	120.0
C13B—C15B—H15F	109.5	C13—C14—H14A	109.5
H15D—C15B—H15E	109.5	C13—C14—H14B	109.5
H15D—C15B—H15F	109.5	C13—C14—H14C	109.5
H15E—C15B—H15F	109.5	H14A—C14—H14B	109.5
H28D—C28B—H28E	109.5	H14A—C14—H14C	109.5
H28D—C28B—H28F	109.5	H14B—C14—H14C	109.5
H28E—C28B—H28F	109.5	C16B—C17B—H17D	109.5
C26B—C28B—H28D	109.5	C16B—C17B—H17E	109.5
C26B—C28B—H28E	109.5	C16B—C17B—H17F	109.5
C26B—C28B—H28F	109.5	H17D—C17B—H17E	109.5
C2B—C3B—H3B	119.0	H17D—C17B—H17F	109.5
C4B—C3B—C2B	121.9 (8)	H17E—C17B—H17F	109.5
C4B—C3B—H3B	119.0	C16—C17—H17A	109.5
C22B—C23B—H23D	109.5	C16—C17—H17B	109.5
C22B—C23B—H23E	109.5	C16—C17—H17C	109.5
C22B—C23B—H23F	109.5	H17A—C17—H17B	109.5
H23D—C23B—H23E	109.5	H17A—C17—H17C	109.5
H23D—C23B—H23F	109.5	H17B—C17—H17C	109.5
H23E—C23B—H23F	109.5	C16—C18—H18A	109.5
C13B—C14B—H14D	109.5	C16—C18—H18B	109.5
C13B—C14B—H14E	109.5	C16—C18—H18C	109.5
C13B—C14B—H14F	109.5	H18A—C18—H18B	109.5
H14D—C14B—H14E	109.5	H18A—C18—H18C	109.5
H14D—C14B—H14F	109.5	H18B—C18—H18C	109.5
H14E—C14B—H14F	109.5	C16B—C18B—H18D	109.5
C19B—C21B—H21D	109.5	C16B—C18B—H18E	109.5
C19B—C21B—H21E	109.5	C16B—C18B—H18F	109.5
C19B—C21B—H21F	109.5	H18D—C18B—H18E	109.5
H21D—C21B—H21E	109.5	H18D—C18B—H18F	109.5
H21D—C21B—H21F	109.5	H18E—C18B—H18F	109.5
Cu1—P1—C1—C6	179.6 (6)	C10—C11—C12—C19	−171.3 (8)
Cu1—P1—C1—C2	−0.2 (7)	C10—C11—C12—C7	2.3 (13)
Cu1—P1—C26—C28	−150.5 (6)	C2—C1—C6—C5	0.9 (12)
Cu1—P1—C26—C27	−29.1 (7)	C2—C7—C8—C9	171.1 (7)
Cu1—P1—C26—C29	87.4 (6)	C2—C7—C8—C13	−2.9 (12)
Cu1—P1—C22—C25	69.2 (6)	C6B—C1B—C2B—C3B	−3.4 (12)
Cu1—P1—C22—C24	−165.6 (6)	C6B—C1B—C2B—C7B	174.7 (7)
Cu1—P1—C22—C23	−46.7 (7)	C6B—C5B—C4B—C3B	−3.0 (15)
Cu1B—P1B—C1B—C2B	−5.5 (7)	C22B—P1B—C1B—C2B	−127.6 (7)
Cu1B—P1B—C1B—C6B	169.6 (6)	C22B—P1B—C1B—C6B	47.5 (8)
Cu1B—P1B—C22B—C25B	33.2 (6)	C22B—P1B—C26B—C28B	−68.8 (8)
Cu1B—P1B—C22B—C23B	−82.3 (6)	C22B—P1B—C26B—C27B	55.9 (8)
Cu1B—P1B—C22B—C24B	153.9 (6)	C22B—P1B—C26B—C29B	172.8 (6)
Cu1B—P1B—C26B—C28B	170.8 (7)	C19—C12—C7—C2	0.8 (11)
Cu1B—P1B—C26B—C27B	−64.4 (7)	C19—C12—C7—C8	170.0 (8)
Cu1B—P1B—C26B—C29B	52.4 (7)	C9B—C8B—C13B—C15B	−77.6 (10)
P1—C1—C6—C5	−178.9 (7)	C9B—C8B—C13B—C14B	45.6 (11)
P1—C1—C2—C7	−6.1 (11)	C9B—C8B—C7B—C2B	−177.5 (8)
P1—C1—C2—C3	177.0 (6)	C9B—C8B—C7B—C12B	5.1 (12)
P1B—C1B—C2B—C3B	171.8 (6)	C9B—C10B—C16B—C17B	−160.7 (11)
P1B—C1B—C2B—C7B	−10.2 (11)	C9B—C10B—C16B—C18B	68.1 (18)
P1B—C1B—C6B—C5B	−173.0 (8)	C12—C11—C10—C9	0.0 (14)
C19B—C12B—C7B—C8B	172.5 (8)	C12—C11—C10—C16	178.0 (9)
C19B—C12B—C7B—C2B	−4.9 (12)	C12—C7—C8—C9	2.4 (12)
C1—P1—C26—C28	86.5 (8)	C12—C7—C8—C13	−171.6 (8)
C1—P1—C26—C27	−152.1 (6)	C26—P1—C1—C6	−52.2 (8)
C1—P1—C26—C29	−35.6 (7)	C26—P1—C1—C2	128.0 (7)
C1—P1—C22—C25	−177.2 (6)	C26—P1—C22—C25	−58.4 (7)
C1—P1—C22—C24	−52.0 (7)	C26—P1—C22—C24	66.8 (7)
C1—P1—C22—C23	66.9 (7)	C26—P1—C22—C23	−174.3 (6)
C1—C6—C5—C4	1.9 (14)	C7—C2—C3—C4	−175.2 (8)
C1—C2—C7—C12	−85.4 (10)	C3B—C2B—C7B—C8B	−95.5 (9)
C1—C2—C7—C8	105.7 (10)	C3B—C2B—C7B—C12B	81.9 (10)
C1—C2—C3—C4	2.1 (13)	C21B—C19B—C12B—C11B	84.4 (10)
C1B—P1B—C22B—C25B	158.0 (6)	C21B—C19B—C12B—C7B	−91.7 (10)
C1B—P1B—C22B—C23B	42.5 (7)	C10B—C11B—C12B—C19B	−176.9 (9)
C1B—P1B—C22B—C24B	−81.3 (7)	C10B—C11B—C12B—C7B	−0.7 (13)
C1B—P1B—C26B—C28B	47.9 (8)	C5—C4—C3—C2	0.7 (14)
C1B—P1B—C26B—C27B	172.6 (6)	C26B—P1B—C1B—C2B	112.8 (7)
C1B—P1B—C26B—C29B	−70.5 (7)	C26B—P1B—C1B—C6B	−72.1 (8)
C1B—C2B—C3B—C4B	1.4 (13)	C26B—P1B—C22B—C25B	−85.4 (7)
C1B—C2B—C7B—C8B	86.4 (10)	C26B—P1B—C22B—C23B	159.1 (6)
C1B—C2B—C7B—C12B	−96.2 (10)	C26B—P1B—C22B—C24B	35.3 (8)
C1B—C6B—C5B—C4B	0.9 (15)	C21—C19—C12—C11	74.1 (10)
C11B—C12B—C7B—C8B	−3.6 (12)	C21—C19—C12—C7	−99.2 (10)
C11B—C12B—C7B—C2B	178.9 (8)	C8—C9—C10—C11	−1.2 (13)
C11B—C10B—C16B—C17B	22.1 (16)	C8—C9—C10—C16	−179.2 (8)
C11B—C10B—C16B—C18B	−109.1 (17)	C20B—C19B—C12B—C11B	−39.1 (11)
C9—C10—C16—C17	−122.0 (11)	C20B—C19B—C12B—C7B	144.8 (8)
C9—C10—C16—C18	107.4 (12)	C15—C13—C8—C9	−70.7 (10)
C8B—C9B—C10B—C11B	−1.8 (14)	C15—C13—C8—C7	103.5 (9)
C8B—C9B—C10B—C16B	−179.2 (9)	C3—C2—C7—C12	91.6 (9)
C6—C1—C2—C7	174.2 (7)	C3—C2—C7—C8	−77.3 (10)
C6—C1—C2—C3	−2.8 (11)	C3—C4—C5—C6	−2.7 (14)
C11—C10—C16—C17	60.1 (15)	C20—C19—C12—C11	−49.4 (11)
C11—C10—C16—C18	−70.5 (14)	C20—C19—C12—C7	137.3 (8)
C11—C12—C7—C2	−172.6 (7)	C22—P1—C1—C6	67.3 (7)
C11—C12—C7—C8	−3.4 (12)	C22—P1—C1—C2	−112.5 (7)
C13B—C8B—C9B—C10B	170.9 (9)	C22—P1—C26—C28	−29.2 (8)
C13B—C8B—C7B—C2B	9.4 (12)	C22—P1—C26—C27	92.2 (7)
C13B—C8B—C7B—C12B	−167.9 (7)	C22—P1—C26—C29	−151.3 (6)
C2B—C1B—C6B—C5B	2.3 (13)	C7B—C8B—C13B—C15B	95.6 (10)
C2B—C3B—C4B—C5B	1.8 (15)	C7B—C8B—C13B—C14B	−141.2 (9)
C12B—C11B—C10B—C9B	3.4 (14)	C7B—C8B—C9B—C10B	−2.4 (14)
C12B—C11B—C10B—C16B	−179.4 (9)	C7B—C2B—C3B—C4B	−176.7 (8)
C10—C9—C8—C13	174.4 (8)	C14—C13—C8—C9	53.3 (10)
C10—C9—C8—C7	0.0 (13)	C14—C13—C8—C7	−132.5 (9)

(Acetonitrile-κN)[2-(di-tert-butylphosphanyl)-2',4',6'-triisopropylbiphenyl-κP]copper(I) hexafluoridophosphate (c4)

Crystal data

[Cu(C2H3N)(C29H45P)]PF6	Z = 4
Mr = 674.18	F(000) = 1416
Triclinic, P1	Dx = 1.354 Mg m^−3
a = 13.5108 (11) Å	Cu Kα radiation, λ = 1.54178 Å
b = 14.9137 (12) Å	Cell parameters from 9780 reflections
c = 16.4165 (14) Å	θ = 3.0–75.4°
α = 91.598 (4)°	µ = 2.32 mm^−1
β = 90.132 (4)°	T = 100 K
γ = 90.372 (3)°	Block, colourless
V = 3306.5 (5) Å^3	0.32 × 0.21 × 0.1 mm

Data collection

Bruker APEXII CCD diffractometer	11886 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.049
Absorption correction: multi-scan (SADABS; Bruker, 2016)	θmax = 76.3°, θmin = 2.7°
Tmin = 0.565, Tmax = 0.754	h = −17→16
55274 measured reflections	k = −18→18
13395 independent reflections	l = −19→20

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.058	w = 1/[σ^2(Fo^2) + (0.052P)^2 + 10.9849P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.159	(Δ/σ)max = 0.001
S = 1.10	Δρmax = 0.92 e Å^−3
13395 reflections	Δρmin = −0.85 e Å^−3
767 parameters	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00084 (9)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component twin.

The X-ray data for complexes 2–4 was collected at 100 K on a Bruker D8 Venture diffractometer equipped with a IµS Diamond microfocus X-ray source. Crystals were mounted on MiTeGen mylar loops using Fomblin Y. Data was collected and processed using APEX3 (Bruker, 2016). The structures were solved by SHELXT and refined using olex2.refine in OLEX2 (Sheldrick, 2015a; Dolomanov et al., 2009).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.73238 (4)	0.20201 (4)	0.78464 (3)	0.02664 (15)
Cu1B	0.28496 (4)	0.70041 (4)	0.71335 (3)	0.02566 (14)
P1	0.88656 (6)	0.22290 (6)	0.74878 (5)	0.01936 (18)
P1B	0.13102 (6)	0.73041 (6)	0.74554 (5)	0.01855 (18)
P2B	0.26325 (7)	0.34746 (7)	0.56766 (6)	0.0265 (2)
P2	0.73679 (7)	−0.14448 (7)	0.91213 (6)	0.0263 (2)
F5B	0.21166 (18)	0.29795 (19)	0.64155 (16)	0.0428 (6)
F2	0.67161 (18)	−0.09969 (17)	0.98447 (14)	0.0370 (5)
F6	0.65829 (18)	−0.10947 (18)	0.84679 (15)	0.0402 (6)
F1	0.79623 (18)	−0.05205 (18)	0.90504 (16)	0.0413 (6)
F5	0.80147 (16)	−0.18873 (19)	0.84034 (15)	0.0412 (6)
F1B	0.20710 (19)	0.43841 (18)	0.59203 (16)	0.0435 (6)
F3	0.81548 (19)	−0.17738 (17)	0.97761 (16)	0.0423 (6)
F4	0.67461 (19)	−0.23472 (18)	0.91809 (17)	0.0447 (6)
F2B	0.3161 (2)	0.39778 (19)	0.49438 (16)	0.0489 (7)
F3B	0.1739 (2)	0.3198 (2)	0.50968 (18)	0.0523 (7)
F6B	0.35171 (19)	0.3787 (2)	0.62684 (19)	0.0554 (8)
F4B	0.3216 (2)	0.2586 (2)	0.5446 (2)	0.0606 (8)
N1	0.6278 (2)	0.1322 (2)	0.82492 (19)	0.0250 (6)
N1B	0.3828 (2)	0.6233 (2)	0.67025 (19)	0.0262 (6)
C7B	0.3104 (2)	0.8719 (2)	0.7738 (2)	0.0185 (6)
C6B	0.0419 (2)	0.8568 (2)	0.8518 (2)	0.0198 (7)
H6B	−0.015604	0.820274	0.845745	0.024*
C11B	0.4696 (2)	0.7967 (2)	0.7640 (2)	0.0186 (6)
H11B	0.515989	0.755951	0.785407	0.022*
C12B	0.3794 (2)	0.8094 (2)	0.8045 (2)	0.0191 (6)
C2B	0.2134 (2)	0.8880 (2)	0.8176 (2)	0.0179 (6)
C5B	0.0393 (3)	0.9320 (2)	0.9028 (2)	0.0208 (7)
H5B	−0.019998	0.947300	0.930717	0.025*
C3B	0.2088 (2)	0.9628 (2)	0.8705 (2)	0.0206 (7)
H3B	0.265972	0.999607	0.877701	0.025*
C2	0.7921 (2)	0.3689 (2)	0.6769 (2)	0.0187 (6)
C12	0.6215 (2)	0.2945 (2)	0.6767 (2)	0.0194 (7)
C6	0.9684 (2)	0.3569 (2)	0.6504 (2)	0.0199 (7)
H6	1.029859	0.327890	0.658781	0.024*
C5	0.9654 (2)	0.4310 (2)	0.6022 (2)	0.0202 (7)
H5	1.024294	0.452451	0.577720	0.024*
C8B	0.3366 (2)	0.9234 (2)	0.7061 (2)	0.0194 (6)
C3	0.7913 (2)	0.4433 (2)	0.6270 (2)	0.0211 (7)
H3	0.730601	0.473572	0.618532	0.025*
C1	0.8829 (2)	0.3232 (2)	0.68730 (19)	0.0177 (6)
C9B	0.4268 (2)	0.9053 (2)	0.6673 (2)	0.0211 (7)
H9B	0.443221	0.938244	0.620451	0.025*
C1B	0.1285 (2)	0.8333 (2)	0.8084 (2)	0.0181 (6)
C10	0.5002 (2)	0.3322 (2)	0.7826 (2)	0.0206 (7)
C7	0.6947 (2)	0.3476 (2)	0.7179 (2)	0.0176 (6)
C4B	0.1228 (3)	0.9850 (2)	0.9132 (2)	0.0209 (7)
H4B	0.121680	1.036122	0.949046	0.025*
C10B	0.4937 (2)	0.8416 (2)	0.6937 (2)	0.0194 (7)
C19B	0.3609 (2)	0.7649 (2)	0.8857 (2)	0.0196 (7)
H19B	0.287593	0.760446	0.893257	0.024*
C4	0.8761 (3)	0.4743 (2)	0.5893 (2)	0.0223 (7)
H4	0.873334	0.524526	0.555026	0.027*
C11	0.5271 (2)	0.2882 (2)	0.7105 (2)	0.0203 (7)
H11	0.478932	0.252047	0.682721	0.024*
C19	0.6409 (3)	0.2493 (2)	0.5941 (2)	0.0223 (7)
H19	0.714171	0.242570	0.587986	0.027*
C30	0.5712 (3)	0.0835 (2)	0.8493 (2)	0.0231 (7)
C30B	0.4403 (3)	0.5727 (2)	0.6468 (2)	0.0244 (7)
C13B	0.2757 (2)	1.0024 (2)	0.6777 (2)	0.0214 (7)
H13B	0.206611	0.994646	0.698233	0.026*
C9	0.5728 (2)	0.3844 (2)	0.8218 (2)	0.0215 (7)
H9	0.556739	0.414076	0.871920	0.026*
C16	0.3965 (3)	0.3243 (2)	0.8167 (2)	0.0240 (7)
H16	0.356000	0.288289	0.776457	0.029*
C16B	0.5877 (2)	0.8234 (2)	0.6446 (2)	0.0234 (7)
H16B	0.566716	0.808680	0.587327	0.028*
C22	0.9751 (3)	0.2443 (2)	0.8368 (2)	0.0245 (7)
C26B	0.0788 (2)	0.6348 (2)	0.8059 (2)	0.0230 (7)
C8	0.6680 (2)	0.3951 (2)	0.7907 (2)	0.0201 (7)
C31	0.4987 (3)	0.0216 (3)	0.8812 (2)	0.0274 (8)
H31A	0.469611	−0.014278	0.836150	0.041*
H31B	0.446464	0.055404	0.909426	0.041*
H31C	0.530990	−0.018179	0.919452	0.041*
C26	0.9303 (3)	0.1264 (2)	0.6809 (2)	0.0244 (7)
C13	0.7358 (3)	0.4652 (3)	0.8313 (2)	0.0252 (7)
H13	0.804663	0.454271	0.811364	0.030*
C22B	0.0555 (3)	0.7523 (2)	0.6522 (2)	0.0251 (7)
C18B	0.6468 (3)	0.7442 (2)	0.6739 (2)	0.0269 (8)
H18D	0.671471	0.757467	0.729157	0.040*
H18E	0.702831	0.733337	0.637231	0.040*
H18F	0.604213	0.690811	0.674247	0.040*
C21B	0.4026 (3)	0.8225 (3)	0.9565 (2)	0.0273 (8)
H21D	0.387860	0.793797	1.008084	0.041*
H21E	0.372273	0.882007	0.956361	0.041*
H21F	0.474468	0.828600	0.950367	0.041*
C14B	0.2705 (3)	1.0103 (3)	0.5848 (2)	0.0282 (8)
H14D	0.336033	1.026274	0.564024	0.042*
H14E	0.222984	1.056858	0.571022	0.042*
H14F	0.249238	0.952736	0.560134	0.042*
C20	0.5941 (3)	0.1554 (3)	0.5857 (2)	0.0299 (8)
H20A	0.609484	0.121218	0.634166	0.045*
H20B	0.620632	0.124176	0.537247	0.045*
H20C	0.522115	0.160875	0.580216	0.045*
C15B	0.3173 (3)	1.0905 (2)	0.7149 (2)	0.0277 (8)
H15D	0.312627	1.089371	0.774409	0.042*
H15E	0.279094	1.141077	0.694911	0.042*
H15F	0.386795	1.097380	0.699056	0.042*
C27	1.0241 (3)	0.1434 (3)	0.6305 (2)	0.0282 (8)
H27A	1.012729	0.193351	0.594175	0.042*
H27B	1.039925	0.089266	0.597919	0.042*
H27C	1.079487	0.158214	0.667189	0.042*
C21	0.6040 (3)	0.3069 (3)	0.5244 (2)	0.0286 (8)
H21A	0.532964	0.317640	0.530827	0.043*
H21B	0.615879	0.275405	0.472112	0.043*
H21C	0.639654	0.364335	0.525586	0.043*
C27B	−0.0345 (3)	0.6250 (3)	0.8051 (3)	0.0308 (8)
H27D	−0.064305	0.680862	0.825715	0.046*
H27E	−0.054072	0.575597	0.839912	0.046*
H27F	−0.057295	0.612266	0.749260	0.046*
C25	0.9451 (3)	0.1819 (3)	0.9059 (2)	0.0294 (8)
H25A	0.877347	0.195567	0.923163	0.044*
H25B	0.990350	0.191224	0.952134	0.044*
H25C	0.948514	0.119359	0.886297	0.044*
C29	0.8461 (3)	0.1045 (3)	0.6211 (2)	0.0313 (8)
H29A	0.784951	0.093760	0.651385	0.047*
H29B	0.862718	0.050725	0.588421	0.047*
H29C	0.836594	0.155065	0.585005	0.047*
C28B	0.1250 (3)	0.5484 (2)	0.7693 (3)	0.0308 (8)
H28D	0.105068	0.540943	0.712028	0.046*
H28E	0.101880	0.496651	0.799668	0.046*
H28F	0.197260	0.552656	0.772861	0.046*
C24	1.0857 (3)	0.2314 (3)	0.8170 (2)	0.0328 (9)
H24A	1.097408	0.168757	0.800435	0.049*
H24B	1.125549	0.246877	0.865360	0.049*
H24C	1.104481	0.270529	0.772452	0.049*
C20B	0.4029 (3)	0.6698 (3)	0.8895 (2)	0.0290 (8)
H20D	0.475341	0.672783	0.889687	0.044*
H20E	0.380133	0.634093	0.841997	0.044*
H20F	0.379940	0.641712	0.939426	0.044*
C23	0.9600 (3)	0.3407 (3)	0.8672 (2)	0.0310 (8)
H23A	0.978641	0.381892	0.824299	0.046*
H23B	1.001331	0.352610	0.915473	0.046*
H23C	0.890251	0.349512	0.881403	0.046*
C25B	0.0553 (3)	0.6687 (3)	0.5962 (3)	0.0358 (9)
H25D	0.123656	0.650358	0.585314	0.054*
H25E	0.022384	0.682098	0.544768	0.054*
H25F	0.019813	0.619975	0.622672	0.054*
C24B	−0.0515 (3)	0.7835 (3)	0.6681 (2)	0.0299 (8)
H24D	−0.089792	0.734551	0.691417	0.045*
H24E	−0.081904	0.800705	0.616577	0.045*
H24F	−0.050748	0.835238	0.706238	0.045*
C31B	0.5148 (3)	0.5111 (3)	0.6173 (3)	0.0326 (9)
H31D	0.484395	0.466970	0.579484	0.049*
H31E	0.543904	0.480144	0.663411	0.049*
H31F	0.566595	0.544309	0.589096	0.049*
C17B	0.6544 (3)	0.9068 (3)	0.6419 (3)	0.0346 (9)
H17D	0.617707	0.956178	0.618092	0.052*
H17E	0.712812	0.893383	0.608546	0.052*
H17F	0.675382	0.924239	0.697333	0.052*
C15	0.7050 (3)	0.5590 (3)	0.8057 (3)	0.0328 (9)
H15A	0.710938	0.563156	0.746481	0.049*
H15B	0.748209	0.603948	0.832466	0.049*
H15C	0.636266	0.569779	0.821908	0.049*
C29B	0.1146 (3)	0.6455 (3)	0.8941 (2)	0.0324 (9)
H29D	0.187115	0.645345	0.895427	0.049*
H29E	0.089134	0.595695	0.925846	0.049*
H29F	0.090456	0.702370	0.917642	0.049*
C18	0.3474 (3)	0.4156 (3)	0.8282 (3)	0.0377 (10)
H18A	0.382967	0.450916	0.870305	0.057*
H18B	0.278463	0.407181	0.845055	0.057*
H18C	0.349145	0.447289	0.776776	0.057*
C23B	0.1111 (3)	0.8274 (3)	0.6092 (2)	0.0322 (8)
H23D	0.111870	0.881635	0.644299	0.048*
H23E	0.077719	0.839967	0.557767	0.048*
H23F	0.179203	0.808506	0.598146	0.048*
C14	0.7368 (3)	0.4608 (3)	0.9246 (2)	0.0359 (9)
H14A	0.673059	0.481410	0.946158	0.054*
H14B	0.789959	0.499419	0.946643	0.054*
H14C	0.748030	0.398848	0.940467	0.054*
C17	0.3954 (3)	0.2754 (3)	0.8963 (3)	0.0406 (11)
H17A	0.423715	0.215526	0.887808	0.061*
H17B	0.327040	0.269738	0.915413	0.061*
H17C	0.434644	0.309211	0.937044	0.061*
C28	0.9453 (3)	0.0445 (3)	0.7341 (3)	0.0354 (9)
H28A	1.003555	0.054319	0.768919	0.053*
H28B	0.955161	−0.008932	0.699052	0.053*
H28C	0.886714	0.035980	0.768149	0.053*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0190 (3)	0.0306 (3)	0.0305 (3)	−0.0043 (2)	0.0069 (2)	0.0034 (2)
Cu1B	0.0196 (3)	0.0276 (3)	0.0299 (3)	0.0046 (2)	0.0058 (2)	0.0016 (2)
P1	0.0149 (4)	0.0195 (4)	0.0240 (4)	0.0013 (3)	0.0029 (3)	0.0056 (3)
P1B	0.0151 (4)	0.0174 (4)	0.0231 (4)	0.0003 (3)	0.0015 (3)	−0.0005 (3)
P2B	0.0161 (4)	0.0350 (5)	0.0290 (5)	0.0029 (4)	0.0039 (3)	0.0096 (4)
P2	0.0169 (4)	0.0350 (5)	0.0268 (5)	−0.0014 (4)	0.0012 (3)	−0.0037 (4)
F5B	0.0275 (12)	0.0575 (16)	0.0444 (14)	−0.0016 (11)	0.0099 (10)	0.0218 (12)
F2	0.0343 (13)	0.0453 (14)	0.0309 (12)	−0.0012 (11)	0.0082 (10)	−0.0088 (10)
F6	0.0279 (12)	0.0557 (16)	0.0366 (13)	0.0067 (11)	−0.0072 (10)	−0.0066 (11)
F1	0.0343 (13)	0.0441 (14)	0.0454 (14)	−0.0133 (11)	0.0002 (11)	0.0051 (11)
F5	0.0186 (11)	0.0644 (17)	0.0401 (14)	0.0085 (11)	0.0053 (9)	−0.0130 (12)
F1B	0.0387 (14)	0.0432 (15)	0.0488 (15)	0.0108 (11)	0.0044 (11)	0.0004 (12)
F3	0.0425 (14)	0.0430 (14)	0.0411 (14)	0.0058 (11)	−0.0153 (11)	−0.0014 (11)
F4	0.0415 (14)	0.0406 (14)	0.0512 (15)	−0.0157 (11)	0.0086 (12)	−0.0092 (12)
F2B	0.0476 (16)	0.0562 (17)	0.0442 (15)	0.0056 (13)	0.0205 (12)	0.0224 (13)
F3B	0.0508 (17)	0.0542 (17)	0.0517 (17)	−0.0108 (13)	−0.0219 (13)	0.0042 (13)
F6B	0.0277 (13)	0.075 (2)	0.0646 (19)	−0.0115 (13)	−0.0172 (12)	0.0249 (16)
F4B	0.066 (2)	0.0424 (16)	0.075 (2)	0.0241 (14)	0.0268 (16)	0.0139 (14)
N1	0.0195 (15)	0.0273 (16)	0.0284 (16)	0.0015 (12)	0.0033 (12)	0.0038 (12)
N1B	0.0225 (15)	0.0285 (16)	0.0276 (16)	−0.0018 (13)	0.0009 (12)	0.0003 (12)
C7B	0.0120 (14)	0.0238 (17)	0.0196 (16)	−0.0010 (12)	0.0013 (12)	−0.0017 (13)
C6B	0.0128 (15)	0.0227 (16)	0.0241 (17)	0.0011 (12)	0.0037 (12)	0.0033 (13)
C11B	0.0136 (15)	0.0169 (15)	0.0252 (17)	0.0017 (12)	0.0001 (12)	0.0003 (12)
C12B	0.0155 (15)	0.0200 (16)	0.0216 (16)	−0.0025 (12)	0.0012 (12)	0.0002 (12)
C2B	0.0156 (15)	0.0189 (16)	0.0192 (16)	0.0000 (12)	0.0009 (12)	0.0024 (12)
C5B	0.0186 (16)	0.0221 (17)	0.0219 (17)	0.0041 (13)	0.0039 (13)	0.0016 (13)
C3B	0.0181 (16)	0.0183 (16)	0.0255 (17)	−0.0017 (13)	0.0019 (13)	−0.0002 (13)
C2	0.0162 (15)	0.0214 (16)	0.0185 (16)	−0.0005 (12)	0.0017 (12)	0.0018 (12)
C12	0.0149 (15)	0.0175 (15)	0.0260 (17)	0.0033 (12)	0.0019 (13)	0.0028 (13)
C6	0.0139 (15)	0.0221 (16)	0.0236 (17)	−0.0001 (12)	0.0030 (12)	0.0013 (13)
C5	0.0160 (15)	0.0213 (16)	0.0234 (17)	−0.0031 (13)	0.0033 (12)	0.0022 (13)
C8B	0.0159 (15)	0.0206 (16)	0.0217 (16)	−0.0007 (12)	−0.0006 (12)	0.0002 (12)
C3	0.0146 (15)	0.0236 (17)	0.0253 (17)	0.0035 (13)	0.0010 (13)	0.0046 (13)
C1	0.0144 (15)	0.0209 (16)	0.0179 (15)	0.0003 (12)	0.0015 (12)	0.0022 (12)
C9B	0.0153 (15)	0.0246 (17)	0.0235 (17)	−0.0006 (13)	0.0033 (13)	0.0030 (13)
C1B	0.0121 (14)	0.0211 (16)	0.0211 (16)	0.0029 (12)	0.0013 (12)	0.0016 (12)
C10	0.0168 (16)	0.0195 (16)	0.0259 (17)	0.0032 (12)	0.0042 (13)	0.0050 (13)
C7	0.0098 (14)	0.0202 (16)	0.0232 (16)	0.0042 (12)	0.0047 (12)	0.0037 (12)
C4B	0.0214 (16)	0.0193 (16)	0.0221 (17)	0.0034 (13)	0.0023 (13)	−0.0017 (13)
C10B	0.0165 (15)	0.0197 (16)	0.0221 (16)	0.0011 (12)	0.0013 (12)	0.0001 (12)
C19B	0.0163 (15)	0.0226 (17)	0.0201 (16)	−0.0014 (13)	0.0006 (12)	0.0026 (13)
C4	0.0226 (17)	0.0208 (16)	0.0238 (17)	−0.0011 (13)	0.0031 (13)	0.0053 (13)
C11	0.0130 (15)	0.0196 (16)	0.0285 (18)	0.0013 (12)	0.0023 (13)	0.0047 (13)
C19	0.0166 (16)	0.0228 (17)	0.0275 (18)	0.0019 (13)	0.0028 (13)	0.0002 (13)
C30	0.0202 (17)	0.0239 (17)	0.0254 (18)	0.0007 (14)	0.0023 (14)	0.0020 (14)
C30B	0.0234 (18)	0.0234 (17)	0.0266 (18)	0.0004 (14)	0.0016 (14)	0.0024 (14)
C13B	0.0149 (15)	0.0233 (17)	0.0263 (18)	0.0021 (13)	0.0036 (13)	0.0043 (13)
C9	0.0157 (16)	0.0265 (18)	0.0224 (17)	0.0019 (13)	0.0053 (13)	0.0015 (13)
C16	0.0159 (16)	0.0242 (18)	0.0319 (19)	0.0007 (13)	0.0036 (14)	0.0039 (14)
C16B	0.0153 (16)	0.0263 (18)	0.0287 (18)	0.0010 (13)	0.0051 (13)	0.0023 (14)
C22	0.0254 (18)	0.0256 (18)	0.0227 (17)	0.0031 (14)	0.0004 (14)	0.0037 (14)
C26B	0.0156 (16)	0.0189 (16)	0.035 (2)	0.0005 (13)	0.0021 (14)	0.0018 (14)
C8	0.0126 (15)	0.0234 (17)	0.0245 (17)	0.0010 (12)	0.0010 (12)	0.0031 (13)
C31	0.0237 (18)	0.0270 (19)	0.032 (2)	−0.0044 (15)	0.0035 (15)	0.0045 (15)
C26	0.0223 (17)	0.0214 (17)	0.0298 (19)	0.0022 (13)	0.0004 (14)	0.0042 (14)
C13	0.0181 (16)	0.0321 (19)	0.0251 (18)	−0.0026 (14)	0.0015 (13)	−0.0022 (14)
C22B	0.0244 (18)	0.0229 (17)	0.0280 (19)	−0.0016 (14)	−0.0017 (14)	−0.0008 (14)
C18B	0.0170 (16)	0.0258 (18)	0.038 (2)	0.0036 (14)	0.0055 (14)	0.0015 (15)
C21B	0.0301 (19)	0.0292 (19)	0.0228 (18)	−0.0045 (15)	0.0008 (14)	0.0026 (14)
C14B	0.0210 (17)	0.037 (2)	0.0266 (19)	0.0062 (15)	0.0038 (14)	0.0069 (15)
C20	0.030 (2)	0.0271 (19)	0.033 (2)	−0.0028 (15)	0.0013 (16)	−0.0030 (15)
C15B	0.0257 (18)	0.0228 (18)	0.035 (2)	0.0026 (14)	0.0012 (15)	0.0032 (15)
C27	0.0234 (18)	0.0303 (19)	0.031 (2)	0.0049 (15)	0.0059 (15)	−0.0020 (15)
C21	0.0268 (19)	0.032 (2)	0.0265 (19)	0.0016 (15)	0.0013 (15)	0.0007 (15)
C27B	0.0200 (18)	0.0255 (19)	0.047 (2)	−0.0035 (14)	0.0037 (16)	0.0053 (16)
C25	0.033 (2)	0.030 (2)	0.0253 (19)	0.0049 (16)	0.0015 (15)	0.0068 (15)
C29	0.030 (2)	0.030 (2)	0.034 (2)	0.0020 (16)	−0.0037 (16)	−0.0015 (16)
C28B	0.0282 (19)	0.0191 (17)	0.045 (2)	−0.0007 (14)	0.0009 (17)	0.0018 (15)
C24	0.0194 (18)	0.050 (2)	0.030 (2)	0.0014 (16)	−0.0029 (15)	0.0071 (17)
C20B	0.0298 (19)	0.0268 (19)	0.031 (2)	0.0012 (15)	0.0033 (15)	0.0075 (15)
C23	0.036 (2)	0.031 (2)	0.0263 (19)	0.0017 (16)	−0.0046 (16)	0.0014 (15)
C25B	0.039 (2)	0.032 (2)	0.036 (2)	0.0040 (17)	−0.0067 (18)	−0.0104 (17)
C24B	0.0236 (18)	0.031 (2)	0.035 (2)	0.0050 (15)	−0.0062 (15)	0.0011 (16)
C31B	0.0231 (19)	0.029 (2)	0.046 (2)	0.0048 (15)	0.0082 (16)	0.0024 (17)
C17B	0.0218 (18)	0.033 (2)	0.050 (2)	0.0003 (16)	0.0111 (17)	0.0105 (18)
C15	0.0252 (19)	0.029 (2)	0.044 (2)	−0.0027 (15)	0.0026 (16)	−0.0041 (17)
C29B	0.035 (2)	0.031 (2)	0.032 (2)	−0.0083 (17)	0.0009 (16)	0.0075 (16)
C18	0.0225 (19)	0.033 (2)	0.059 (3)	0.0105 (16)	0.0134 (18)	0.0100 (19)
C23B	0.034 (2)	0.038 (2)	0.0248 (19)	−0.0043 (17)	−0.0019 (16)	0.0042 (16)
C14	0.0257 (19)	0.053 (3)	0.028 (2)	−0.0078 (18)	0.0017 (15)	−0.0071 (18)
C17	0.025 (2)	0.050 (3)	0.048 (3)	0.0080 (18)	0.0129 (18)	0.024 (2)
C28	0.043 (2)	0.0239 (19)	0.039 (2)	0.0081 (17)	0.0030 (18)	0.0049 (16)

Geometric parameters (Å, º)

Cu1—P1	2.1886 (10)	C26B—C28B	1.542 (5)
Cu1—N1	1.882 (3)	C26B—C29B	1.530 (5)
Cu1—C7	2.513 (3)	C8—C13	1.523 (5)
Cu1B—P1B	2.1930 (10)	C31—H31A	0.9800
Cu1B—N1B	1.884 (3)	C31—H31B	0.9800
Cu1B—C12B	2.517 (3)	C31—H31C	0.9800
P1—C1	1.829 (3)	C26—C27	1.539 (5)
P1—C22	1.893 (4)	C26—C29	1.529 (5)
P1—C26	1.894 (4)	C26—C28	1.535 (5)
P1B—C1B	1.825 (3)	C13—H13	1.0000
P1B—C26B	1.893 (4)	C13—C15	1.531 (5)
P1B—C22B	1.876 (4)	C13—C14	1.534 (5)
P2B—F5B	1.597 (2)	C22B—C25B	1.528 (5)
P2B—F1B	1.600 (3)	C22B—C24B	1.542 (5)
P2B—F2B	1.602 (2)	C22B—C23B	1.534 (5)
P2B—F3B	1.581 (3)	C18B—H18D	0.9800
P2B—F6B	1.597 (3)	C18B—H18E	0.9800
P2B—F4B	1.583 (3)	C18B—H18F	0.9800
P2—F2	1.613 (2)	C21B—H21D	0.9800
P2—F6	1.607 (2)	C21B—H21E	0.9800
P2—F1	1.598 (3)	C21B—H21F	0.9800
P2—F5	1.599 (2)	C14B—H14D	0.9800
P2—F3	1.599 (2)	C14B—H14E	0.9800
P2—F4	1.587 (3)	C14B—H14F	0.9800
N1—C30	1.133 (5)	C20—H20A	0.9800
N1B—C30B	1.146 (5)	C20—H20B	0.9800
C7B—C12B	1.423 (5)	C20—H20C	0.9800
C7B—C2B	1.512 (4)	C15B—H15D	0.9800
C7B—C8B	1.413 (5)	C15B—H15E	0.9800
C6B—H6B	0.9500	C15B—H15F	0.9800
C6B—C5B	1.382 (5)	C27—H27A	0.9800
C6B—C1B	1.412 (4)	C27—H27B	0.9800
C11B—H11B	0.9500	C27—H27C	0.9800
C11B—C12B	1.402 (5)	C21—H21A	0.9800
C11B—C10B	1.388 (5)	C21—H21B	0.9800
C12B—C19B	1.526 (5)	C21—H21C	0.9800
C2B—C3B	1.396 (5)	C27B—H27D	0.9800
C2B—C1B	1.409 (5)	C27B—H27E	0.9800
C5B—H5B	0.9500	C27B—H27F	0.9800
C5B—C4B	1.380 (5)	C25—H25A	0.9800
C3B—H3B	0.9500	C25—H25B	0.9800
C3B—C4B	1.396 (5)	C25—H25C	0.9800
C2—C3	1.398 (5)	C29—H29A	0.9800
C2—C1	1.419 (5)	C29—H29B	0.9800
C2—C7	1.515 (4)	C29—H29C	0.9800
C12—C7	1.421 (5)	C28B—H28D	0.9800
C12—C11	1.395 (4)	C28B—H28E	0.9800
C12—C19	1.523 (5)	C28B—H28F	0.9800
C6—H6	0.9500	C24—H24A	0.9800
C6—C5	1.378 (5)	C24—H24B	0.9800
C6—C1	1.403 (4)	C24—H24C	0.9800
C5—H5	0.9500	C20B—H20D	0.9800
C5—C4	1.390 (5)	C20B—H20E	0.9800
C8B—C9B	1.401 (5)	C20B—H20F	0.9800
C8B—C13B	1.525 (5)	C23—H23A	0.9800
C3—H3	0.9500	C23—H23B	0.9800
C3—C4	1.387 (5)	C23—H23C	0.9800
C9B—H9B	0.9500	C25B—H25D	0.9800
C9B—C10B	1.393 (5)	C25B—H25E	0.9800
C10—C11	1.388 (5)	C25B—H25F	0.9800
C10—C9	1.394 (5)	C24B—H24D	0.9800
C10—C16	1.515 (5)	C24B—H24E	0.9800
C7—C8	1.421 (5)	C24B—H24F	0.9800
C4B—H4B	0.9500	C31B—H31D	0.9800
C10B—C16B	1.527 (5)	C31B—H31E	0.9800
C19B—H19B	1.0000	C31B—H31F	0.9800
C19B—C21B	1.531 (5)	C17B—H17D	0.9800
C19B—C20B	1.534 (5)	C17B—H17E	0.9800
C4—H4	0.9500	C17B—H17F	0.9800
C11—H11	0.9500	C15—H15A	0.9800
C19—H19	1.0000	C15—H15B	0.9800
C19—C20	1.535 (5)	C15—H15C	0.9800
C19—C21	1.535 (5)	C29B—H29D	0.9800
C30—C31	1.450 (5)	C29B—H29E	0.9800
C30B—C31B	1.442 (5)	C29B—H29F	0.9800
C13B—H13B	1.0000	C18—H18A	0.9800
C13B—C14B	1.534 (5)	C18—H18B	0.9800
C13B—C15B	1.537 (5)	C18—H18C	0.9800
C9—H9	0.9500	C23B—H23D	0.9800
C9—C8	1.394 (4)	C23B—H23E	0.9800
C16—H16	1.0000	C23B—H23F	0.9800
C16—C18	1.526 (5)	C14—H14A	0.9800
C16—C17	1.513 (5)	C14—H14B	0.9800
C16B—H16B	1.0000	C14—H14C	0.9800
C16B—C18B	1.518 (5)	C17—H17A	0.9800
C16B—C17B	1.533 (5)	C17—H17B	0.9800
C22—C25	1.540 (5)	C17—H17C	0.9800
C22—C24	1.542 (5)	C28—H28A	0.9800
C22—C23	1.524 (5)	C28—H28B	0.9800
C26B—C27B	1.537 (5)	C28—H28C	0.9800
P1—Cu1—C7	87.05 (7)	C30—C31—H31B	109.5
N1—Cu1—P1	152.94 (10)	C30—C31—H31C	109.5
N1—Cu1—C7	119.44 (12)	H31A—C31—H31B	109.5
P1B—Cu1B—C12B	102.06 (8)	H31A—C31—H31C	109.5
N1B—Cu1B—P1B	151.67 (10)	H31B—C31—H31C	109.5
N1B—Cu1B—C12B	104.26 (12)	C27—C26—P1	116.5 (3)
C1—P1—Cu1	104.10 (11)	C29—C26—P1	106.7 (2)
C1—P1—C22	108.53 (16)	C29—C26—C27	107.5 (3)
C1—P1—C26	107.74 (15)	C29—C26—C28	107.9 (3)
C22—P1—Cu1	114.58 (12)	C28—C26—P1	108.2 (3)
C22—P1—C26	110.98 (16)	C28—C26—C27	109.8 (3)
C26—P1—Cu1	110.46 (12)	C8—C13—H13	108.0
C1B—P1B—Cu1B	108.83 (11)	C8—C13—C15	109.6 (3)
C1B—P1B—C26B	109.17 (16)	C8—C13—C14	113.1 (3)
C1B—P1B—C22B	106.59 (16)	C15—C13—H13	108.0
C26B—P1B—Cu1B	108.97 (11)	C15—C13—C14	109.9 (3)
C22B—P1B—Cu1B	110.99 (12)	C14—C13—H13	108.0
C22B—P1B—C26B	112.20 (16)	C25B—C22B—P1B	109.3 (3)
F5B—P2B—F1B	90.44 (15)	C25B—C22B—C24B	110.1 (3)
F5B—P2B—F2B	179.20 (17)	C25B—C22B—C23B	108.3 (3)
F5B—P2B—F6B	89.73 (15)	C24B—C22B—P1B	115.5 (3)
F1B—P2B—F2B	89.41 (15)	C23B—C22B—P1B	104.9 (2)
F3B—P2B—F5B	90.46 (15)	C23B—C22B—C24B	108.2 (3)
F3B—P2B—F1B	89.45 (16)	C16B—C18B—H18D	109.5
F3B—P2B—F2B	90.33 (16)	C16B—C18B—H18E	109.5
F3B—P2B—F6B	178.02 (18)	C16B—C18B—H18F	109.5
F3B—P2B—F4B	92.09 (19)	H18D—C18B—H18E	109.5
F6B—P2B—F1B	88.58 (17)	H18D—C18B—H18F	109.5
F6B—P2B—F2B	89.48 (16)	H18E—C18B—H18F	109.5
F4B—P2B—F5B	89.97 (16)	C19B—C21B—H21D	109.5
F4B—P2B—F1B	178.40 (18)	C19B—C21B—H21E	109.5
F4B—P2B—F2B	90.16 (16)	C19B—C21B—H21F	109.5
F4B—P2B—F6B	89.89 (19)	H21D—C21B—H21E	109.5
F6—P2—F2	89.56 (13)	H21D—C21B—H21F	109.5
F1—P2—F2	89.25 (14)	H21E—C21B—H21F	109.5
F1—P2—F6	89.02 (15)	C13B—C14B—H14D	109.5
F1—P2—F5	90.66 (15)	C13B—C14B—H14E	109.5
F1—P2—F3	89.98 (14)	C13B—C14B—H14F	109.5
F5—P2—F2	179.91 (18)	H14D—C14B—H14E	109.5
F5—P2—F6	90.40 (13)	H14D—C14B—H14F	109.5
F5—P2—F3	90.05 (14)	H14E—C14B—H14F	109.5
F3—P2—F2	89.98 (14)	C19—C20—H20A	109.5
F3—P2—F6	178.91 (15)	C19—C20—H20B	109.5
F4—P2—F2	90.04 (14)	C19—C20—H20C	109.5
F4—P2—F6	89.25 (15)	H20A—C20—H20B	109.5
F4—P2—F1	178.13 (16)	H20A—C20—H20C	109.5
F4—P2—F5	90.05 (15)	H20B—C20—H20C	109.5
F4—P2—F3	91.75 (15)	C13B—C15B—H15D	109.5
C30—N1—Cu1	173.4 (3)	C13B—C15B—H15E	109.5
C30B—N1B—Cu1B	176.1 (3)	C13B—C15B—H15F	109.5
C12B—C7B—C2B	120.0 (3)	H15D—C15B—H15E	109.5
C8B—C7B—C12B	119.3 (3)	H15D—C15B—H15F	109.5
C8B—C7B—C2B	120.5 (3)	H15E—C15B—H15F	109.5
C5B—C6B—H6B	119.4	C26—C27—H27A	109.5
C5B—C6B—C1B	121.3 (3)	C26—C27—H27B	109.5
C1B—C6B—H6B	119.4	C26—C27—H27C	109.5
C12B—C11B—H11B	118.8	H27A—C27—H27B	109.5
C10B—C11B—H11B	118.8	H27A—C27—H27C	109.5
C10B—C11B—C12B	122.4 (3)	H27B—C27—H27C	109.5
C7B—C12B—Cu1B	83.0 (2)	C19—C21—H21A	109.5
C7B—C12B—C19B	120.4 (3)	C19—C21—H21B	109.5
C11B—C12B—Cu1B	94.5 (2)	C19—C21—H21C	109.5
C11B—C12B—C7B	119.2 (3)	H21A—C21—H21B	109.5
C11B—C12B—C19B	120.0 (3)	H21A—C21—H21C	109.5
C19B—C12B—Cu1B	98.5 (2)	H21B—C21—H21C	109.5
C3B—C2B—C7B	116.9 (3)	C26B—C27B—H27D	109.5
C3B—C2B—C1B	118.4 (3)	C26B—C27B—H27E	109.5
C1B—C2B—C7B	124.7 (3)	C26B—C27B—H27F	109.5
C6B—C5B—H5B	120.0	H27D—C27B—H27E	109.5
C4B—C5B—C6B	120.1 (3)	H27D—C27B—H27F	109.5
C4B—C5B—H5B	120.0	H27E—C27B—H27F	109.5
C2B—C3B—H3B	119.0	C22—C25—H25A	109.5
C4B—C3B—C2B	122.0 (3)	C22—C25—H25B	109.5
C4B—C3B—H3B	119.0	C22—C25—H25C	109.5
C3—C2—C1	118.2 (3)	H25A—C25—H25B	109.5
C3—C2—C7	115.5 (3)	H25A—C25—H25C	109.5
C1—C2—C7	126.3 (3)	H25B—C25—H25C	109.5
C7—C12—C19	121.9 (3)	C26—C29—H29A	109.5
C11—C12—C7	119.1 (3)	C26—C29—H29B	109.5
C11—C12—C19	118.9 (3)	C26—C29—H29C	109.5
C5—C6—H6	119.2	H29A—C29—H29B	109.5
C5—C6—C1	121.5 (3)	H29A—C29—H29C	109.5
C1—C6—H6	119.2	H29B—C29—H29C	109.5
C6—C5—H5	120.0	C26B—C28B—H28D	109.5
C6—C5—C4	120.0 (3)	C26B—C28B—H28E	109.5
C4—C5—H5	120.0	C26B—C28B—H28F	109.5
C7B—C8B—C13B	123.1 (3)	H28D—C28B—H28E	109.5
C9B—C8B—C7B	118.2 (3)	H28D—C28B—H28F	109.5
C9B—C8B—C13B	118.4 (3)	H28E—C28B—H28F	109.5
C2—C3—H3	119.0	C22—C24—H24A	109.5
C4—C3—C2	122.1 (3)	C22—C24—H24B	109.5
C4—C3—H3	118.9	C22—C24—H24C	109.5
C2—C1—P1	119.8 (2)	H24A—C24—H24B	109.5
C6—C1—P1	121.4 (2)	H24A—C24—H24C	109.5
C6—C1—C2	118.8 (3)	H24B—C24—H24C	109.5
C8B—C9B—H9B	118.2	C19B—C20B—H20D	109.5
C10B—C9B—C8B	123.5 (3)	C19B—C20B—H20E	109.5
C10B—C9B—H9B	118.2	C19B—C20B—H20F	109.5
C6B—C1B—P1B	120.0 (3)	H20D—C20B—H20E	109.5
C2B—C1B—P1B	121.0 (2)	H20D—C20B—H20F	109.5
C2B—C1B—C6B	119.0 (3)	H20E—C20B—H20F	109.5
C11—C10—C9	116.8 (3)	C22—C23—H23A	109.5
C11—C10—C16	121.5 (3)	C22—C23—H23B	109.5
C9—C10—C16	121.6 (3)	C22—C23—H23C	109.5
C2—C7—Cu1	102.05 (19)	H23A—C23—H23B	109.5
C12—C7—Cu1	82.77 (19)	H23A—C23—H23C	109.5
C12—C7—C2	120.7 (3)	H23B—C23—H23C	109.5
C8—C7—Cu1	96.0 (2)	C22B—C25B—H25D	109.5
C8—C7—C2	119.5 (3)	C22B—C25B—H25E	109.5
C8—C7—C12	118.6 (3)	C22B—C25B—H25F	109.5
C5B—C4B—C3B	119.3 (3)	H25D—C25B—H25E	109.5
C5B—C4B—H4B	120.3	H25D—C25B—H25F	109.5
C3B—C4B—H4B	120.3	H25E—C25B—H25F	109.5
C11B—C10B—C9B	117.0 (3)	C22B—C24B—H24D	109.5
C11B—C10B—C16B	123.4 (3)	C22B—C24B—H24E	109.5
C9B—C10B—C16B	119.5 (3)	C22B—C24B—H24F	109.5
C12B—C19B—H19B	107.6	H24D—C24B—H24E	109.5
C12B—C19B—C21B	110.8 (3)	H24D—C24B—H24F	109.5
C12B—C19B—C20B	113.6 (3)	H24E—C24B—H24F	109.5
C21B—C19B—H19B	107.6	C30B—C31B—H31D	109.5
C21B—C19B—C20B	109.4 (3)	C30B—C31B—H31E	109.5
C20B—C19B—H19B	107.6	C30B—C31B—H31F	109.5
C5—C4—H4	120.4	H31D—C31B—H31E	109.5
C3—C4—C5	119.2 (3)	H31D—C31B—H31F	109.5
C3—C4—H4	120.4	H31E—C31B—H31F	109.5
C12—C11—H11	118.4	C16B—C17B—H17D	109.5
C10—C11—C12	123.2 (3)	C16B—C17B—H17E	109.5
C10—C11—H11	118.4	C16B—C17B—H17F	109.5
C12—C19—H19	107.8	H17D—C17B—H17E	109.5
C12—C19—C20	112.9 (3)	H17D—C17B—H17F	109.5
C12—C19—C21	111.3 (3)	H17E—C17B—H17F	109.5
C20—C19—H19	107.8	C13—C15—H15A	109.5
C21—C19—H19	107.8	C13—C15—H15B	109.5
C21—C19—C20	109.1 (3)	C13—C15—H15C	109.5
N1—C30—C31	179.5 (4)	H15A—C15—H15B	109.5
N1B—C30B—C31B	178.4 (4)	H15A—C15—H15C	109.5
C8B—C13B—H13B	107.9	H15B—C15—H15C	109.5
C8B—C13B—C14B	114.2 (3)	C26B—C29B—H29D	109.5
C8B—C13B—C15B	110.0 (3)	C26B—C29B—H29E	109.5
C14B—C13B—H13B	107.9	C26B—C29B—H29F	109.5
C14B—C13B—C15B	108.8 (3)	H29D—C29B—H29E	109.5
C15B—C13B—H13B	107.9	H29D—C29B—H29F	109.5
C10—C9—H9	118.5	H29E—C29B—H29F	109.5
C8—C9—C10	123.0 (3)	C16—C18—H18A	109.5
C8—C9—H9	118.5	C16—C18—H18B	109.5
C10—C16—H16	107.6	C16—C18—H18C	109.5
C10—C16—C18	112.1 (3)	H18A—C18—H18B	109.5
C18—C16—H16	107.6	H18A—C18—H18C	109.5
C17—C16—C10	111.8 (3)	H18B—C18—H18C	109.5
C17—C16—H16	107.6	C22B—C23B—H23D	109.5
C17—C16—C18	109.8 (3)	C22B—C23B—H23E	109.5
C10B—C16B—H16B	107.1	C22B—C23B—H23F	109.5
C10B—C16B—C17B	111.7 (3)	H23D—C23B—H23E	109.5
C18B—C16B—C10B	113.7 (3)	H23D—C23B—H23F	109.5
C18B—C16B—H16B	107.1	H23E—C23B—H23F	109.5
C18B—C16B—C17B	109.8 (3)	C13—C14—H14A	109.5
C17B—C16B—H16B	107.1	C13—C14—H14B	109.5
C25—C22—P1	107.8 (3)	C13—C14—H14C	109.5
C25—C22—C24	109.6 (3)	H14A—C14—H14B	109.5
C24—C22—P1	115.6 (3)	H14A—C14—H14C	109.5
C23—C22—P1	107.4 (2)	H14B—C14—H14C	109.5
C23—C22—C25	107.8 (3)	C16—C17—H17A	109.5
C23—C22—C24	108.5 (3)	C16—C17—H17B	109.5
C27B—C26B—P1B	115.8 (3)	C16—C17—H17C	109.5
C27B—C26B—C28B	109.1 (3)	H17A—C17—H17B	109.5
C28B—C26B—P1B	106.1 (2)	H17A—C17—H17C	109.5
C29B—C26B—P1B	108.6 (2)	H17B—C17—H17C	109.5
C29B—C26B—C27B	109.1 (3)	C26—C28—H28A	109.5
C29B—C26B—C28B	107.7 (3)	C26—C28—H28B	109.5
C7—C8—C13	122.2 (3)	C26—C28—H28C	109.5
C9—C8—C7	119.2 (3)	H28A—C28—H28B	109.5
C9—C8—C13	118.3 (3)	H28A—C28—H28C	109.5
C30—C31—H31A	109.5	H28B—C28—H28C	109.5
Cu1—P1—C1—C2	2.7 (3)	C1—P1—C26—C29	−70.7 (3)
Cu1—P1—C1—C6	−177.8 (3)	C1—P1—C26—C28	173.5 (3)
Cu1—P1—C22—C25	39.6 (3)	C1—C2—C3—C4	−1.5 (5)
Cu1—P1—C22—C24	162.6 (2)	C1—C2—C7—Cu1	−8.9 (4)
Cu1—P1—C22—C23	−76.2 (3)	C1—C2—C7—C12	−97.6 (4)
Cu1—P1—C26—C27	162.4 (2)	C1—C2—C7—C8	95.2 (4)
Cu1—P1—C26—C29	42.4 (3)	C1—C6—C5—C4	0.1 (5)
Cu1—P1—C26—C28	−73.4 (3)	C9B—C8B—C13B—C14B	42.7 (4)
Cu1—C7—C8—C9	−81.5 (3)	C9B—C8B—C13B—C15B	−80.0 (4)
Cu1—C7—C8—C13	105.2 (3)	C9B—C10B—C16B—C18B	−172.3 (3)
Cu1B—P1B—C1B—C6B	−166.2 (2)	C9B—C10B—C16B—C17B	62.6 (4)
Cu1B—P1B—C1B—C2B	10.8 (3)	C1B—P1B—C26B—C27B	84.2 (3)
Cu1B—P1B—C26B—C27B	−157.0 (3)	C1B—P1B—C26B—C28B	−154.5 (2)
Cu1B—P1B—C26B—C28B	−35.8 (3)	C1B—P1B—C26B—C29B	−38.9 (3)
Cu1B—P1B—C26B—C29B	79.8 (3)	C1B—P1B—C22B—C25B	179.5 (3)
Cu1B—P1B—C22B—C25B	61.1 (3)	C1B—P1B—C22B—C24B	−55.7 (3)
Cu1B—P1B—C22B—C24B	−174.0 (2)	C1B—P1B—C22B—C23B	63.4 (3)
Cu1B—P1B—C22B—C23B	−54.9 (3)	C1B—C6B—C5B—C4B	−1.0 (5)
Cu1B—C12B—C19B—C21B	−174.6 (2)	C1B—C2B—C3B—C4B	−0.9 (5)
Cu1B—C12B—C19B—C20B	61.8 (3)	C10—C9—C8—C7	−3.2 (5)
C7B—C12B—C19B—C21B	−87.7 (4)	C10—C9—C8—C13	170.4 (3)
C7B—C12B—C19B—C20B	148.6 (3)	C7—C2—C3—C4	176.1 (3)
C7B—C2B—C3B—C4B	179.0 (3)	C7—C2—C1—P1	5.2 (5)
C7B—C2B—C1B—P1B	4.1 (5)	C7—C2—C1—C6	−174.2 (3)
C7B—C2B—C1B—C6B	−178.8 (3)	C7—C12—C11—C10	0.7 (5)
C7B—C8B—C9B—C10B	−2.5 (5)	C7—C12—C19—C20	141.6 (3)
C7B—C8B—C13B—C14B	−142.5 (3)	C7—C12—C19—C21	−95.3 (4)
C7B—C8B—C13B—C15B	94.9 (4)	C7—C8—C13—C15	97.3 (4)
C6B—C5B—C4B—C3B	1.3 (5)	C7—C8—C13—C14	−139.7 (3)
C11B—C12B—C19B—C21B	85.1 (4)	C10B—C11B—C12B—Cu1B	83.1 (3)
C11B—C12B—C19B—C20B	−38.5 (4)	C10B—C11B—C12B—C7B	−1.4 (5)
C11B—C10B—C16B—C18B	6.8 (5)	C10B—C11B—C12B—C19B	−174.4 (3)
C11B—C10B—C16B—C17B	−118.2 (4)	C11—C12—C7—Cu1	90.6 (3)
C12B—C7B—C2B—C3B	97.9 (4)	C11—C12—C7—C2	−169.7 (3)
C12B—C7B—C2B—C1B	−82.1 (4)	C11—C12—C7—C8	−2.3 (5)
C12B—C7B—C8B—C9B	5.3 (5)	C11—C12—C19—C20	−42.5 (4)
C12B—C7B—C8B—C13B	−169.5 (3)	C11—C12—C19—C21	80.6 (4)
C12B—C11B—C10B—C9B	4.3 (5)	C11—C10—C9—C8	1.5 (5)
C12B—C11B—C10B—C16B	−174.9 (3)	C11—C10—C16—C18	−122.6 (4)
C2B—C7B—C12B—Cu1B	89.9 (3)	C11—C10—C16—C17	113.6 (4)
C2B—C7B—C12B—C11B	−178.8 (3)	C19—C12—C7—Cu1	−93.5 (3)
C2B—C7B—C12B—C19B	−5.9 (5)	C19—C12—C7—C2	6.3 (5)
C2B—C7B—C8B—C9B	−179.4 (3)	C19—C12—C7—C8	173.6 (3)
C2B—C7B—C8B—C13B	5.7 (5)	C19—C12—C11—C10	−175.4 (3)
C2B—C3B—C4B—C5B	−0.3 (5)	C13B—C8B—C9B—C10B	172.6 (3)
C5B—C6B—C1B—P1B	177.0 (3)	C9—C10—C11—C12	−0.2 (5)
C5B—C6B—C1B—C2B	−0.2 (5)	C9—C10—C16—C18	56.9 (5)
C3B—C2B—C1B—P1B	−176.0 (2)	C9—C10—C16—C17	−66.9 (5)
C3B—C2B—C1B—C6B	1.1 (5)	C9—C8—C13—C15	−76.1 (4)
C2—C3—C4—C5	−0.8 (5)	C9—C8—C13—C14	46.9 (5)
C2—C7—C8—C9	171.0 (3)	C16—C10—C11—C12	179.4 (3)
C2—C7—C8—C13	−2.3 (5)	C16—C10—C9—C8	−178.1 (3)
C12—C7—C8—C9	3.5 (5)	C22—P1—C1—C2	−119.7 (3)
C12—C7—C8—C13	−169.8 (3)	C22—P1—C1—C6	59.7 (3)
C6—C5—C4—C3	1.5 (5)	C22—P1—C26—C27	−69.4 (3)
C5—C6—C1—P1	178.2 (3)	C22—P1—C26—C29	170.6 (2)
C5—C6—C1—C2	−2.4 (5)	C22—P1—C26—C28	54.8 (3)
C8B—C7B—C12B—Cu1B	−94.8 (3)	C26B—P1B—C1B—C6B	−47.4 (3)
C8B—C7B—C12B—C11B	−3.5 (5)	C26B—P1B—C1B—C2B	129.7 (3)
C8B—C7B—C12B—C19B	169.4 (3)	C26B—P1B—C22B—C25B	−61.1 (3)
C8B—C7B—C2B—C3B	−77.3 (4)	C26B—P1B—C22B—C24B	63.8 (3)
C8B—C7B—C2B—C1B	102.7 (4)	C26B—P1B—C22B—C23B	−177.1 (2)
C8B—C9B—C10B—C11B	−2.3 (5)	C26—P1—C1—C2	120.0 (3)
C8B—C9B—C10B—C16B	176.9 (3)	C26—P1—C1—C6	−60.5 (3)
C3—C2—C1—P1	−177.5 (3)	C26—P1—C22—C25	−86.3 (3)
C3—C2—C1—C6	3.0 (5)	C26—P1—C22—C24	36.6 (3)
C3—C2—C7—Cu1	173.7 (3)	C26—P1—C22—C23	157.8 (2)
C3—C2—C7—C12	85.1 (4)	C22B—P1B—C1B—C6B	74.0 (3)
C3—C2—C7—C8	−82.2 (4)	C22B—P1B—C1B—C2B	−108.9 (3)
C1—P1—C22—C25	155.5 (2)	C22B—P1B—C26B—C27B	−33.7 (3)
C1—P1—C22—C24	−81.6 (3)	C22B—P1B—C26B—C28B	87.5 (3)
C1—P1—C22—C23	39.6 (3)	C22B—P1B—C26B—C29B	−156.8 (3)
C1—P1—C26—C27	49.3 (3)

[2-(Di-tert-butylphosphanyl)-2',4',6'-triisopropylbiphenyl-κP](perchlorato-κO)copper(I) (c5)

Crystal data

[Cu(ClO4)(C29H45P)]	F(000) = 1248
Mr = 587.61	Dx = 1.327 Mg m^−3
Monoclinic, P21/c	Cu Kα radiation, λ = 1.54187 Å
a = 8.3841 (2) Å	Cell parameters from 13209 reflections
b = 17.6607 (3) Å	θ = 2.2–72.0°
c = 19.8739 (14) Å	µ = 2.64 mm^−1
β = 91.419 (6)°	T = 123 K
V = 2941.8 (2) Å^3	Chunk, colorless
Z = 4	0.35 × 0.2 × 0.15 mm

Data collection

Rigaku R-AXIS conversion diffractometer	3659 reflections with I > 2σ(I)
Detector resolution: 10.0000 pixels mm^-1	Rint = 0.066
profile data from ω–scans	θmax = 65.1°, θmin = 4.5°
Absorption correction: empirical (using intensity measurements) multi-scan	h = −9→7
Tmin = 0.705, Tmax = 1.000	k = −20→20
27768 measured reflections	l = −23→23
4941 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.059	w = 1/[σ^2(Fo^2) + (0.053P)^2 + 6.602P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.170	(Δ/σ)max = 0.002
S = 1.20	Δρmax = 0.71 e Å^−3
4941 reflections	Δρmin = −0.76 e Å^−3
338 parameters	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00038 (10)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. X-ray data for complexes 1, 5 and 6 were collected at low temperature with a Rigaku Spider diffractometer equipped with a copper rotating anode X-ray source, using graphite monochromated Cu Kα (λ = 1.54187), and a curved image plate detector. Crystals were mounted on MiTeGen mylar loops using Fomblin Y. Data was collected using CrystalClear 1.4.0 and processed using FS PROCESS (Rigaku, 1998, 2011). Complexes 1 and 6 were solved by SUPERFLIP, complex 5 was solved with olex2.solve and all were refined using olex2.refine in OLEX2 (Palatinus & Chapuis, 2007; Dolomanov et al., 2009).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.76502 (8)	0.70617 (4)	0.46707 (3)	0.0285 (2)
Cl1	0.91163 (15)	0.67536 (7)	0.60311 (6)	0.0380 (3)
P1	0.74749 (13)	0.64101 (6)	0.37416 (5)	0.0217 (3)
O1	0.8382 (5)	0.73096 (19)	0.55707 (17)	0.0478 (10)
O2	1.0319 (6)	0.6368 (3)	0.5644 (3)	0.0857 (16)
O3	0.9832 (6)	0.7133 (2)	0.6578 (2)	0.0768 (15)
O4	0.8011 (6)	0.6204 (3)	0.6209 (2)	0.0794 (15)
C1	0.6071 (5)	0.6876 (2)	0.3158 (2)	0.0217 (9)
C6	0.5461 (5)	0.6499 (2)	0.2580 (2)	0.0275 (10)
H6	0.585891	0.600948	0.247792	0.033*
C5	0.4310 (6)	0.6813 (3)	0.2160 (2)	0.0297 (10)
H5	0.392256	0.654227	0.177657	0.036*
C4	0.3724 (5)	0.7524 (3)	0.2300 (2)	0.0287 (10)
H4	0.293037	0.774509	0.201211	0.034*
C3	0.4288 (5)	0.7913 (2)	0.2854 (2)	0.0266 (10)
H3	0.386707	0.840048	0.294726	0.032*
C2	0.5469 (5)	0.7610 (2)	0.3287 (2)	0.0225 (9)
C7	0.6076 (5)	0.8103 (2)	0.3859 (2)	0.0219 (9)
C8	0.7176 (5)	0.8697 (2)	0.3728 (2)	0.0225 (9)
C9	0.7704 (5)	0.9154 (2)	0.4256 (2)	0.0231 (9)
H9	0.844686	0.954573	0.416787	0.028*
C10	0.7186 (5)	0.9059 (2)	0.4910 (2)	0.0228 (9)
C11	0.6055 (5)	0.8506 (2)	0.5027 (2)	0.0249 (10)
H11	0.566457	0.845031	0.546935	0.030*
C12	0.5468 (5)	0.8028 (2)	0.4518 (2)	0.0206 (9)
C22	0.9441 (5)	0.6397 (2)	0.3316 (2)	0.0279 (10)
C23	0.9959 (6)	0.7229 (3)	0.3301 (3)	0.0369 (12)
H23A	0.923647	0.751401	0.299922	0.055*
H23B	1.104966	0.726374	0.313737	0.055*
H23C	0.992074	0.744196	0.375539	0.055*
C24	0.9417 (6)	0.6107 (3)	0.2600 (2)	0.0363 (12)
H24A	0.904458	0.558093	0.259195	0.054*
H24B	1.049484	0.613235	0.242211	0.054*
H24C	0.869440	0.641989	0.232222	0.054*
C25	1.0656 (6)	0.5958 (3)	0.3758 (3)	0.0405 (13)
H25A	1.060586	0.613789	0.422371	0.061*
H25B	1.173151	0.604105	0.359075	0.061*
H25C	1.040404	0.541666	0.374160	0.061*
C26	0.6733 (5)	0.5420 (2)	0.3898 (2)	0.0263 (10)
C29	0.4921 (6)	0.5450 (3)	0.3961 (2)	0.0325 (11)
H29A	0.464322	0.583448	0.429332	0.049*
H29B	0.453000	0.495469	0.410532	0.049*
H29C	0.442925	0.558045	0.352341	0.049*
C27	0.7468 (6)	0.5176 (3)	0.4588 (2)	0.0377 (12)
H27A	0.863490	0.518381	0.456685	0.056*
H27B	0.711146	0.466249	0.469589	0.056*
H27C	0.712374	0.552695	0.493743	0.056*
C28	0.7155 (6)	0.4813 (2)	0.3377 (2)	0.0321 (11)
H28A	0.673988	0.496560	0.293198	0.048*
H28B	0.667622	0.432859	0.350338	0.048*
H28C	0.831635	0.475753	0.336342	0.048*
C13	0.7716 (5)	0.8884 (2)	0.3020 (2)	0.0258 (10)
H13	0.750605	0.842997	0.273000	0.031*
C14	0.9500 (6)	0.9075 (3)	0.2984 (2)	0.0338 (11)
H14A	0.969394	0.957846	0.317702	0.051*
H14B	0.982096	0.907140	0.251313	0.051*
H14C	1.012343	0.869788	0.323876	0.051*
C15	0.6732 (7)	0.9540 (3)	0.2732 (2)	0.0410 (13)
H15A	0.560319	0.939649	0.270804	0.062*
H15B	0.709429	0.966089	0.227891	0.062*
H15C	0.686772	0.998473	0.302251	0.062*
C16	0.7898 (5)	0.9542 (2)	0.5478 (2)	0.0266 (10)
H16	0.837423	1.000119	0.526786	0.032*
C17	0.9248 (6)	0.9111 (3)	0.5825 (3)	0.0387 (12)
H17A	0.882610	0.865053	0.603063	0.058*
H17B	0.974498	0.943025	0.617495	0.058*
H17C	1.004535	0.897361	0.549419	0.058*
C18	0.6682 (6)	0.9817 (3)	0.5981 (2)	0.0396 (12)
H18A	0.581600	1.008427	0.574130	0.059*
H18B	0.720283	1.016149	0.630499	0.059*
H18C	0.624506	0.938197	0.622137	0.059*
C19	0.4037 (5)	0.7530 (2)	0.4655 (2)	0.0267 (10)
H19	0.388064	0.717469	0.426708	0.032*
C21	0.2554 (6)	0.8030 (3)	0.4698 (3)	0.0412 (13)
H21A	0.269551	0.838954	0.506974	0.062*
H21B	0.161891	0.771187	0.477634	0.062*
H21C	0.239829	0.830769	0.427454	0.062*
C20	0.4206 (6)	0.7058 (3)	0.5303 (2)	0.0356 (12)
H20A	0.511833	0.671436	0.526916	0.053*
H20B	0.323134	0.676213	0.536478	0.053*
H20C	0.437599	0.739651	0.568913	0.053*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0353 (5)	0.0271 (4)	0.0229 (4)	−0.0039 (3)	−0.0023 (3)	−0.0019 (3)
Cl1	0.0415 (8)	0.0359 (7)	0.0358 (7)	−0.0034 (5)	−0.0116 (5)	0.0080 (5)
P1	0.0233 (6)	0.0195 (6)	0.0221 (6)	−0.0001 (4)	−0.0006 (4)	−0.0009 (4)
O1	0.076 (3)	0.0309 (19)	0.035 (2)	0.0120 (18)	−0.0254 (18)	0.0006 (15)
O2	0.071 (3)	0.096 (4)	0.090 (4)	0.042 (3)	0.001 (3)	−0.004 (3)
O3	0.121 (4)	0.057 (3)	0.050 (3)	−0.017 (3)	−0.054 (3)	0.001 (2)
O4	0.101 (4)	0.075 (3)	0.062 (3)	−0.049 (3)	−0.012 (3)	0.017 (2)
C1	0.020 (2)	0.022 (2)	0.024 (2)	−0.0016 (17)	0.0055 (17)	−0.0032 (17)
C6	0.027 (3)	0.025 (2)	0.031 (2)	0.0030 (19)	0.000 (2)	0.0007 (18)
C5	0.038 (3)	0.033 (3)	0.017 (2)	−0.005 (2)	−0.0082 (19)	−0.0022 (18)
C4	0.025 (3)	0.035 (3)	0.026 (2)	−0.003 (2)	−0.0026 (19)	0.0004 (19)
C3	0.031 (3)	0.024 (2)	0.024 (2)	0.0096 (19)	−0.0065 (19)	0.0014 (18)
C2	0.027 (2)	0.024 (2)	0.017 (2)	−0.0054 (18)	0.0033 (17)	0.0002 (16)
C7	0.025 (2)	0.018 (2)	0.023 (2)	0.0023 (17)	−0.0023 (18)	−0.0012 (17)
C8	0.027 (2)	0.020 (2)	0.019 (2)	−0.0001 (18)	−0.0038 (18)	0.0008 (17)
C9	0.026 (2)	0.019 (2)	0.025 (2)	−0.0029 (17)	0.0015 (18)	0.0030 (17)
C10	0.021 (2)	0.024 (2)	0.023 (2)	−0.0018 (17)	−0.0022 (18)	0.0007 (17)
C11	0.030 (3)	0.026 (2)	0.019 (2)	−0.0041 (19)	0.0045 (18)	−0.0020 (17)
C12	0.021 (2)	0.019 (2)	0.022 (2)	0.0040 (17)	0.0009 (17)	0.0041 (16)
C22	0.026 (3)	0.024 (2)	0.034 (3)	0.0025 (18)	−0.001 (2)	0.0012 (19)
C23	0.034 (3)	0.035 (3)	0.041 (3)	−0.011 (2)	0.007 (2)	−0.003 (2)
C24	0.038 (3)	0.037 (3)	0.035 (3)	0.003 (2)	0.012 (2)	0.000 (2)
C25	0.021 (3)	0.050 (3)	0.051 (3)	0.009 (2)	0.002 (2)	0.007 (3)
C26	0.029 (3)	0.024 (2)	0.026 (2)	−0.0002 (18)	−0.0030 (19)	0.0037 (18)
C29	0.035 (3)	0.024 (2)	0.038 (3)	−0.009 (2)	0.009 (2)	−0.003 (2)
C27	0.060 (4)	0.022 (2)	0.031 (3)	0.000 (2)	0.001 (2)	0.0026 (19)
C28	0.038 (3)	0.024 (2)	0.034 (3)	−0.003 (2)	0.003 (2)	0.000 (2)
C13	0.030 (3)	0.029 (2)	0.018 (2)	−0.0042 (19)	−0.0008 (18)	−0.0016 (17)
C14	0.048 (3)	0.028 (2)	0.027 (2)	−0.012 (2)	0.008 (2)	−0.0017 (19)
C15	0.058 (4)	0.034 (3)	0.031 (3)	0.004 (2)	0.000 (2)	0.011 (2)
C16	0.028 (3)	0.027 (2)	0.024 (2)	−0.0073 (19)	0.0013 (19)	−0.0068 (18)
C17	0.044 (3)	0.034 (3)	0.037 (3)	−0.004 (2)	−0.011 (2)	−0.008 (2)
C18	0.042 (3)	0.038 (3)	0.038 (3)	−0.006 (2)	0.003 (2)	−0.017 (2)
C19	0.031 (3)	0.023 (2)	0.026 (2)	−0.0059 (19)	0.0021 (19)	−0.0014 (18)
C21	0.044 (3)	0.034 (3)	0.045 (3)	0.000 (2)	−0.003 (3)	−0.003 (2)
C20	0.038 (3)	0.039 (3)	0.030 (3)	−0.009 (2)	0.015 (2)	0.002 (2)

Geometric parameters (Å, º)

Cu1—P1	2.1776 (12)	C25—H25B	0.9800
Cu1—O1	1.927 (3)	C25—H25C	0.9800
Cu1—C12	2.515 (4)	C26—C29	1.528 (6)
Cl1—O1	1.467 (3)	C26—C27	1.551 (6)
Cl1—O2	1.453 (5)	C26—C28	1.537 (6)
Cl1—O3	1.399 (4)	C29—H29A	0.9800
Cl1—O4	1.393 (4)	C29—H29B	0.9800
P1—C1	1.828 (5)	C29—H29C	0.9800
P1—C22	1.871 (5)	C27—H27A	0.9800
P1—C26	1.885 (4)	C27—H27B	0.9800
C1—C6	1.411 (6)	C27—H27C	0.9800
C1—C2	1.418 (6)	C28—H28A	0.9800
C6—H6	0.9500	C28—H28B	0.9800
C6—C5	1.378 (6)	C28—H28C	0.9800
C5—H5	0.9500	C13—H13	1.0000
C5—C4	1.379 (6)	C13—C14	1.538 (6)
C4—H4	0.9500	C13—C15	1.526 (6)
C4—C3	1.373 (6)	C14—H14A	0.9800
C3—H3	0.9500	C14—H14B	0.9800
C3—C2	1.401 (6)	C14—H14C	0.9800
C2—C7	1.510 (6)	C15—H15A	0.9800
C7—C8	1.425 (6)	C15—H15B	0.9800
C7—C12	1.423 (6)	C15—H15C	0.9800
C8—C9	1.388 (6)	C16—H16	1.0000
C8—C13	1.525 (5)	C16—C17	1.515 (7)
C9—H9	0.9500	C16—C18	1.525 (6)
C9—C10	1.390 (6)	C17—H17A	0.9800
C10—C11	1.385 (6)	C17—H17B	0.9800
C10—C16	1.526 (6)	C17—H17C	0.9800
C11—H11	0.9500	C18—H18A	0.9800
C11—C12	1.399 (6)	C18—H18B	0.9800
C12—C19	1.518 (6)	C18—H18C	0.9800
C22—C23	1.534 (6)	C19—H19	1.0000
C22—C24	1.512 (6)	C19—C21	1.528 (7)
C22—C25	1.538 (6)	C19—C20	1.538 (6)
C23—H23A	0.9800	C21—H21A	0.9800
C23—H23B	0.9800	C21—H21B	0.9800
C23—H23C	0.9800	C21—H21C	0.9800
C24—H24A	0.9800	C20—H20A	0.9800
C24—H24B	0.9800	C20—H20B	0.9800
C24—H24C	0.9800	C20—H20C	0.9800
C25—H25A	0.9800
P1—Cu1—C12	102.85 (10)	C29—C26—P1	108.3 (3)
O1—Cu1—P1	156.98 (11)	C29—C26—C27	108.2 (4)
O1—Cu1—C12	99.91 (14)	C29—C26—C28	109.0 (4)
O2—Cl1—O1	105.7 (3)	C27—C26—P1	106.1 (3)
O3—Cl1—O1	109.2 (2)	C28—C26—P1	117.0 (3)
O3—Cl1—O2	110.2 (3)	C28—C26—C27	108.0 (4)
O4—Cl1—O1	110.7 (3)	C26—C29—H29A	109.5
O4—Cl1—O2	106.4 (3)	C26—C29—H29B	109.5
O4—Cl1—O3	114.3 (3)	C26—C29—H29C	109.5
C1—P1—Cu1	109.25 (13)	H29A—C29—H29B	109.5
C1—P1—C22	106.23 (19)	H29A—C29—H29C	109.5
C1—P1—C26	108.17 (19)	H29B—C29—H29C	109.5
C22—P1—Cu1	110.38 (15)	C26—C27—H27A	109.5
C22—P1—C26	111.13 (19)	C26—C27—H27B	109.5
C26—P1—Cu1	111.50 (14)	C26—C27—H27C	109.5
Cl1—O1—Cu1	123.1 (2)	H27A—C27—H27B	109.5
C6—C1—P1	121.3 (3)	H27A—C27—H27C	109.5
C6—C1—C2	117.1 (4)	H27B—C27—H27C	109.5
C2—C1—P1	121.5 (3)	C26—C28—H28A	109.5
C1—C6—H6	118.8	C26—C28—H28B	109.5
C5—C6—C1	122.5 (4)	C26—C28—H28C	109.5
C5—C6—H6	118.8	H28A—C28—H28B	109.5
C6—C5—H5	120.2	H28A—C28—H28C	109.5
C6—C5—C4	119.5 (4)	H28B—C28—H28C	109.5
C4—C5—H5	120.2	C8—C13—H13	107.9
C5—C4—H4	120.0	C8—C13—C14	113.7 (4)
C3—C4—C5	120.0 (4)	C8—C13—C15	109.9 (4)
C3—C4—H4	120.0	C14—C13—H13	107.9
C4—C3—H3	119.1	C15—C13—H13	107.9
C4—C3—C2	121.7 (4)	C15—C13—C14	109.4 (4)
C2—C3—H3	119.1	C13—C14—H14A	109.5
C1—C2—C7	123.3 (4)	C13—C14—H14B	109.5
C3—C2—C1	119.2 (4)	C13—C14—H14C	109.5
C3—C2—C7	117.5 (4)	H14A—C14—H14B	109.5
C8—C7—C2	119.6 (4)	H14A—C14—H14C	109.5
C12—C7—C2	121.2 (4)	H14B—C14—H14C	109.5
C12—C7—C8	119.0 (4)	C13—C15—H15A	109.5
C7—C8—C13	122.4 (4)	C13—C15—H15B	109.5
C9—C8—C7	119.1 (4)	C13—C15—H15C	109.5
C9—C8—C13	118.4 (4)	H15A—C15—H15B	109.5
C8—C9—H9	118.8	H15A—C15—H15C	109.5
C8—C9—C10	122.3 (4)	H15B—C15—H15C	109.5
C10—C9—H9	118.8	C10—C16—H16	107.2
C9—C10—C16	119.9 (4)	C17—C16—C10	109.3 (4)
C11—C10—C9	118.3 (4)	C17—C16—H16	107.2
C11—C10—C16	121.7 (4)	C17—C16—C18	111.4 (4)
C10—C11—H11	118.9	C18—C16—C10	114.1 (4)
C10—C11—C12	122.2 (4)	C18—C16—H16	107.2
C12—C11—H11	118.9	C16—C17—H17A	109.5
C7—C12—Cu1	84.2 (2)	C16—C17—H17B	109.5
C7—C12—C19	121.5 (4)	C16—C17—H17C	109.5
C11—C12—Cu1	94.6 (3)	H17A—C17—H17B	109.5
C11—C12—C7	118.8 (4)	H17A—C17—H17C	109.5
C11—C12—C19	119.0 (4)	H17B—C17—H17C	109.5
C19—C12—Cu1	99.3 (3)	C16—C18—H18A	109.5
C23—C22—P1	104.5 (3)	C16—C18—H18B	109.5
C23—C22—C25	108.1 (4)	C16—C18—H18C	109.5
C24—C22—P1	116.0 (3)	H18A—C18—H18B	109.5
C24—C22—C23	107.6 (4)	H18A—C18—H18C	109.5
C24—C22—C25	111.1 (4)	H18B—C18—H18C	109.5
C25—C22—P1	109.1 (3)	C12—C19—H19	108.3
C22—C23—H23A	109.5	C12—C19—C21	108.8 (4)
C22—C23—H23B	109.5	C12—C19—C20	114.1 (4)
C22—C23—H23C	109.5	C21—C19—H19	108.3
H23A—C23—H23B	109.5	C21—C19—C20	108.9 (4)
H23A—C23—H23C	109.5	C20—C19—H19	108.3
H23B—C23—H23C	109.5	C19—C21—H21A	109.5
C22—C24—H24A	109.5	C19—C21—H21B	109.5
C22—C24—H24B	109.5	C19—C21—H21C	109.5
C22—C24—H24C	109.5	H21A—C21—H21B	109.5
H24A—C24—H24B	109.5	H21A—C21—H21C	109.5
H24A—C24—H24C	109.5	H21B—C21—H21C	109.5
H24B—C24—H24C	109.5	C19—C20—H20A	109.5
C22—C25—H25A	109.5	C19—C20—H20B	109.5
C22—C25—H25B	109.5	C19—C20—H20C	109.5
C22—C25—H25C	109.5	H20A—C20—H20B	109.5
H25A—C25—H25B	109.5	H20A—C20—H20C	109.5
H25A—C25—H25C	109.5	H20B—C20—H20C	109.5
H25B—C25—H25C	109.5
Cu1—P1—C1—C6	−166.0 (3)	C2—C7—C12—C19	−8.4 (6)
Cu1—P1—C1—C2	9.9 (4)	C7—C8—C9—C10	−0.7 (6)
Cu1—P1—C22—C23	−49.5 (3)	C7—C8—C13—C14	−139.7 (4)
Cu1—P1—C22—C24	−167.7 (3)	C7—C8—C13—C15	97.2 (5)
Cu1—P1—C22—C25	65.9 (3)	C7—C12—C19—C21	−99.9 (5)
Cu1—P1—C26—C29	79.8 (3)	C7—C12—C19—C20	138.2 (4)
Cu1—P1—C26—C27	−36.1 (3)	C8—C7—C12—Cu1	−96.5 (4)
Cu1—P1—C26—C28	−156.7 (3)	C8—C7—C12—C11	−4.5 (6)
Cu1—C12—C19—C21	171.3 (3)	C8—C7—C12—C19	166.2 (4)
Cu1—C12—C19—C20	49.4 (4)	C8—C9—C10—C11	−2.6 (7)
P1—C1—C6—C5	174.9 (3)	C8—C9—C10—C16	175.7 (4)
P1—C1—C2—C3	−174.3 (3)	C9—C8—C13—C14	44.3 (5)
P1—C1—C2—C7	7.8 (5)	C9—C8—C13—C15	−78.8 (5)
O2—Cl1—O1—Cu1	48.4 (4)	C9—C10—C11—C12	2.4 (7)
O3—Cl1—O1—Cu1	166.9 (3)	C9—C10—C16—C17	−95.2 (5)
O4—Cl1—O1—Cu1	−66.4 (4)	C9—C10—C16—C18	139.3 (4)
C1—P1—C22—C23	68.8 (3)	C10—C11—C12—Cu1	87.0 (4)
C1—P1—C22—C24	−49.4 (4)	C10—C11—C12—C7	1.2 (6)
C1—P1—C22—C25	−175.8 (3)	C10—C11—C12—C19	−169.7 (4)
C1—P1—C26—C29	−40.4 (3)	C11—C10—C16—C17	83.0 (5)
C1—P1—C26—C27	−156.3 (3)	C11—C10—C16—C18	−42.5 (6)
C1—P1—C26—C28	83.2 (4)	C11—C12—C19—C21	70.7 (5)
C1—C6—C5—C4	0.3 (7)	C11—C12—C19—C20	−51.2 (5)
C1—C2—C7—C8	100.7 (5)	C12—C7—C8—C9	4.3 (6)
C1—C2—C7—C12	−84.7 (5)	C12—C7—C8—C13	−171.7 (4)
C6—C1—C2—C3	1.7 (6)	C22—P1—C1—C6	75.0 (4)
C6—C1—C2—C7	−176.2 (4)	C22—P1—C1—C2	−109.1 (3)
C6—C5—C4—C3	0.0 (7)	C22—P1—C26—C29	−156.6 (3)
C5—C4—C3—C2	0.6 (7)	C22—P1—C26—C27	87.5 (3)
C4—C3—C2—C1	−1.5 (6)	C22—P1—C26—C28	−33.0 (4)
C4—C3—C2—C7	176.5 (4)	C26—P1—C1—C6	−44.4 (4)
C3—C2—C7—C8	−77.2 (5)	C26—P1—C1—C2	131.5 (3)
C3—C2—C7—C12	97.3 (5)	C26—P1—C22—C23	−173.7 (3)
C2—C1—C6—C5	−1.2 (6)	C26—P1—C22—C24	68.0 (4)
C2—C7—C8—C9	178.9 (4)	C26—P1—C22—C25	−58.4 (4)
C2—C7—C8—C13	2.9 (6)	C13—C8—C9—C10	175.4 (4)
C2—C7—C12—Cu1	88.9 (4)	C16—C10—C11—C12	−175.9 (4)
C2—C7—C12—C11	−179.1 (4)

Di-µ-thiocyanato-κ²S:N;κ²N:S-bis{[2-(di-tert-butylphosphanyl)-2',4',6'-triisopropylbiphenyl-κP]copper(I)} (c6)

Crystal data

[Cu2(NCS)2(C29H45P)2]	Z = 2
Mr = 1092.47	F(000) = 1168
Triclinic, P1	Dx = 1.237 Mg m^−3
a = 10.0650 (3) Å	Cu Kα radiation, λ = 1.54187 Å
b = 11.2602 (2) Å	Cell parameters from 17560 reflections
c = 26.6618 (19) Å	θ = 3.4–71.9°
α = 98.599 (7)°	µ = 2.35 mm^−1
β = 98.848 (7)°	T = 123 K
γ = 95.120 (7)°	Plank, colourless
V = 2932.6 (2) Å^3	0.2 × 0.08 × 0.05 mm

Data collection

Rigaku R-AXIS conversion diffractometer	7047 reflections with I > 2σ(I)
Detector resolution: 10.0000 pixels mm^-1	Rint = 0.060
profile data from ω–scans	θmax = 65.1°, θmin = 4.5°
Absorption correction: empirical (using intensity measurements) multi-scan	h = −10→11
Tmin = 0.525, Tmax = 1.000	k = −13→13
52323 measured reflections	l = −31→31
9717 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.060	w = 1/[σ^2(Fo^2) + (0.0323P)^2 + 10.3492P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.157	(Δ/σ)max = 0.001
S = 1.15	Δρmax = 1.13 e Å^−3
9717 reflections	Δρmin = −0.85 e Å^−3
638 parameters	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00028 (5)
Primary atom site location: iterative

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. X-ray data for complexes 1, 5 and 6 were collected at low temperature with a Rigaku Spider diffractometer equipped with a copper rotating anode X-ray source, using graphite monochromated Cu Kα (λ = 1.54187), and a curved image plate detector. Crystals were mounted on MiTeGen mylar loops using Fomblin Y. Data was collected using CrystalClear 1.4.0 and processed using FS PROCESS (Rigaku, 1998, 2011). Complexes 1 and 6 were solved by SUPERFLIP, complex 5 was solved with olex2.solve and all were refined using olex2.refine in OLEX2 (Palatinus & Chapuis, 2007; Dolomanov et al., 2009).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.38519 (7)	0.17476 (6)	0.54696 (3)	0.0250 (2)
S1	0.57599 (14)	0.23079 (10)	0.51346 (5)	0.0292 (3)
P1	0.24983 (13)	0.30418 (10)	0.57535 (4)	0.0199 (3)
N1	0.6439 (4)	−0.0004 (3)	0.47805 (16)	0.0303 (10)
C1	0.2552 (5)	0.3277 (4)	0.64568 (17)	0.0197 (10)
C6	0.1558 (5)	0.3907 (4)	0.66657 (17)	0.0244 (11)
H6	0.091374	0.423672	0.644261	0.029*
C30	0.6147 (5)	0.0946 (4)	0.49291 (17)	0.0215 (10)
C5	0.1495 (6)	0.4060 (4)	0.71881 (18)	0.0296 (12)
H5	0.081086	0.448174	0.731780	0.035*
C4	0.2430 (6)	0.3596 (4)	0.75172 (18)	0.0305 (13)
H4	0.240045	0.369728	0.787535	0.037*
C3	0.3406 (6)	0.2986 (4)	0.73198 (17)	0.0286 (12)
H3	0.405661	0.268792	0.755242	0.034*
C2	0.3499 (5)	0.2778 (4)	0.67989 (17)	0.0183 (10)
C7	0.4544 (5)	0.1984 (4)	0.66415 (16)	0.0225 (11)
C8	0.5876 (5)	0.2487 (4)	0.66350 (17)	0.0235 (11)
C9	0.6845 (5)	0.1717 (4)	0.65267 (17)	0.0242 (11)
H9	0.773660	0.205470	0.651437	0.029*
C10	0.6534 (5)	0.0454 (4)	0.64355 (17)	0.0254 (11)
C11	0.5240 (5)	−0.0016 (4)	0.64615 (17)	0.0247 (11)
H11	0.502425	−0.086953	0.640648	0.030*
C12	0.4237 (5)	0.0715 (4)	0.65655 (16)	0.0228 (11)
C22	0.2866 (5)	0.4596 (4)	0.55843 (17)	0.0236 (11)
C23	0.4376 (5)	0.5003 (4)	0.57867 (19)	0.0272 (11)
H23A	0.453748	0.513713	0.616392	0.041*
H23B	0.464202	0.575565	0.566649	0.041*
H23C	0.491259	0.437452	0.565895	0.041*
C25	0.2639 (5)	0.4467 (4)	0.49946 (18)	0.0269 (11)
H25A	0.313464	0.382054	0.485377	0.040*
H25B	0.296665	0.523016	0.489588	0.040*
H25C	0.167053	0.426767	0.485804	0.040*
C24	0.2070 (6)	0.5600 (4)	0.58073 (19)	0.0319 (13)
H24A	0.109737	0.534948	0.570130	0.048*
H24B	0.231348	0.634663	0.567829	0.048*
H24C	0.229488	0.574177	0.618384	0.048*
C26	0.0704 (5)	0.2408 (4)	0.54580 (17)	0.0230 (11)
C28	0.0705 (5)	0.1746 (4)	0.49114 (18)	0.0289 (12)
H28A	0.096485	0.233142	0.469627	0.043*
H28B	−0.020258	0.133700	0.476509	0.043*
H28C	0.135366	0.114739	0.492391	0.043*
C27	−0.0390 (5)	0.3280 (4)	0.5421 (2)	0.0315 (12)
H27A	−0.044525	0.369213	0.576674	0.047*
H27B	−0.126711	0.282239	0.526413	0.047*
H27C	−0.015337	0.387976	0.520880	0.047*
C29	0.0254 (6)	0.1453 (4)	0.57733 (19)	0.0326 (13)
H29A	0.091961	0.087125	0.579715	0.049*
H29B	−0.063047	0.102901	0.560366	0.049*
H29C	0.018550	0.185141	0.611976	0.049*
C13	0.6317 (5)	0.3834 (4)	0.67935 (18)	0.0259 (11)
H13	0.549215	0.426485	0.674332	0.031*
C14	0.7323 (5)	0.4336 (4)	0.6481 (2)	0.0318 (12)
H14A	0.820825	0.406281	0.658096	0.048*
H14B	0.740747	0.522178	0.654755	0.048*
H14C	0.699789	0.404598	0.611323	0.048*
C15	0.6937 (6)	0.4108 (5)	0.73697 (19)	0.0404 (15)
H15A	0.627348	0.382707	0.757182	0.061*
H15B	0.718543	0.498177	0.747463	0.061*
H15C	0.774601	0.369075	0.742927	0.061*
C16	0.7668 (5)	−0.0320 (4)	0.63309 (19)	0.0298 (12)
H16	0.802706	−0.006116	0.602985	0.036*
C18	0.7198 (6)	−0.1673 (4)	0.6185 (2)	0.0322 (13)
H18A	0.796088	−0.210533	0.610359	0.048*
H18B	0.647607	−0.181373	0.588347	0.048*
H18C	0.685478	−0.196710	0.647382	0.048*
C17	0.8838 (6)	−0.0074 (5)	0.6783 (2)	0.0376 (14)
H17A	0.919211	0.078421	0.684481	0.056*
H17B	0.955797	−0.056641	0.670413	0.056*
H17C	0.851738	−0.028106	0.709161	0.056*
C19	0.2870 (5)	0.0121 (4)	0.66360 (18)	0.0241 (11)
H19	0.220040	0.071879	0.659467	0.029*
C21	0.2955 (6)	−0.0176 (5)	0.71831 (19)	0.0347 (13)
H21A	0.205895	−0.050920	0.723158	0.052*
H21B	0.326401	0.056228	0.743434	0.052*
H21C	0.359583	−0.077178	0.723235	0.052*
C20	0.2335 (6)	−0.1020 (4)	0.62448 (19)	0.0341 (13)
H20A	0.291126	−0.165863	0.630611	0.051*
H20B	0.234362	−0.084523	0.589608	0.051*
H20C	0.140661	−0.128896	0.628127	0.051*
Cu1B	0.82060 (8)	−0.16851 (6)	0.94351 (3)	0.0292 (2)
S1B	1.03561 (15)	−0.22447 (11)	0.96869 (5)	0.0342 (3)
P1B	0.64377 (14)	−0.29531 (10)	0.90240 (5)	0.0248 (3)
N1B	0.8378 (5)	−0.0061 (4)	0.98399 (17)	0.0351 (11)
C1B	0.5999 (5)	−0.2892 (4)	0.83291 (18)	0.0253 (11)
C6B	0.4817 (5)	−0.3573 (4)	0.80366 (18)	0.0286 (12)
H6B	0.425961	−0.405957	0.820194	0.034*
C5B	0.4440 (6)	−0.3556 (4)	0.75163 (19)	0.0309 (12)
H5B	0.364809	−0.404128	0.732839	0.037*
C4B	0.5213 (6)	−0.2838 (4)	0.72723 (18)	0.0290 (12)
H4B	0.496549	−0.282636	0.691470	0.035*
C3B	0.6352 (5)	−0.2136 (4)	0.75523 (17)	0.0266 (11)
H3B	0.686323	−0.162324	0.738162	0.032*
C30B	1.1112 (5)	−0.0890 (4)	0.99635 (18)	0.0289 (12)
C2B	0.6796 (5)	−0.2139 (4)	0.80802 (17)	0.0222 (10)
C7B	0.8047 (5)	−0.1302 (4)	0.83221 (16)	0.0194 (10)
C8B	0.9344 (5)	−0.1655 (4)	0.82952 (18)	0.0268 (11)
C9B	1.0485 (5)	−0.0819 (4)	0.84831 (19)	0.0300 (12)
H9B	1.135694	−0.107311	0.847243	0.036*
C10B	1.0387 (5)	0.0383 (4)	0.86868 (17)	0.0261 (11)
C11B	0.9109 (6)	0.0722 (4)	0.86881 (18)	0.0299 (12)
H11B	0.902345	0.153894	0.881813	0.036*
C12B	0.7937 (5)	−0.0072 (4)	0.85086 (17)	0.0234 (11)
C26B	0.4868 (6)	−0.2593 (4)	0.93098 (19)	0.0303 (12)
C29B	0.4303 (6)	−0.1551 (5)	0.9069 (2)	0.0393 (14)
H29D	0.502203	−0.087929	0.911212	0.059*
H29E	0.356170	−0.128016	0.923968	0.059*
H29F	0.396428	−0.182791	0.870167	0.059*
C27B	0.3708 (6)	−0.3628 (4)	0.9250 (2)	0.0345 (13)
H27D	0.341299	−0.395882	0.888450	0.052*
H27E	0.294615	−0.331415	0.939480	0.052*
H27F	0.403056	−0.426715	0.943364	0.052*
C28B	0.5340 (6)	−0.2130 (5)	0.9888 (2)	0.0402 (14)
H28D	0.574624	−0.276765	1.005021	0.060*
H28E	0.456247	−0.190834	1.004708	0.060*
H28F	0.601204	−0.142018	0.993473	0.060*
C22B	0.6730 (5)	−0.4585 (4)	0.90546 (17)	0.0248 (11)
C24B	0.5626 (5)	−0.5577 (4)	0.8751 (2)	0.0306 (12)
H24D	0.476739	−0.546734	0.887334	0.046*
H24E	0.588918	−0.637231	0.880361	0.046*
H24F	0.551710	−0.552271	0.838417	0.046*
C25B	0.6984 (6)	−0.4723 (5)	0.96227 (19)	0.0379 (14)
H25D	0.768565	−0.408700	0.981375	0.057*
H25E	0.728497	−0.551650	0.965438	0.057*
H25F	0.614578	−0.465338	0.976361	0.057*
C23B	0.8038 (6)	−0.4778 (4)	0.88412 (19)	0.0335 (13)
H23D	0.789559	−0.471384	0.847466	0.050*
H23E	0.828892	−0.558173	0.888450	0.050*
H23F	0.876507	−0.416039	0.902796	0.050*
C13B	0.9526 (5)	−0.2913 (4)	0.80256 (18)	0.0285 (12)
H13B	0.867930	−0.345802	0.801776	0.034*
C15B	0.9694 (6)	−0.2857 (5)	0.74620 (19)	0.0366 (13)
H15D	1.050206	−0.230591	0.745833	0.055*
H15E	0.889505	−0.256148	0.728356	0.055*
H15F	0.979084	−0.366605	0.728727	0.055*
C14B	1.0701 (6)	−0.3468 (4)	0.82917 (19)	0.0336 (13)
H14D	1.061579	−0.433474	0.815613	0.050*
H14E	1.069149	−0.335223	0.866281	0.050*
H14F	1.155375	−0.307596	0.822828	0.050*
C19B	0.6574 (5)	0.0429 (4)	0.84738 (18)	0.0257 (11)
H19B	0.584430	−0.026829	0.839577	0.031*
C20B	0.6417 (6)	0.1213 (4)	0.89774 (19)	0.0335 (13)
H20D	0.708464	0.193163	0.904880	0.050*
H20E	0.656146	0.074761	0.925974	0.050*
H20F	0.550301	0.146214	0.894624	0.050*
C21B	0.6395 (6)	0.1161 (5)	0.8030 (2)	0.0380 (14)
H21D	0.712727	0.182710	0.809089	0.057*
H21E	0.552199	0.148877	0.801108	0.057*
H21F	0.642142	0.063357	0.770491	0.057*
C16B	1.1687 (6)	0.1257 (4)	0.8876 (2)	0.0327 (12)
H16B	1.222818	0.095482	0.916832	0.039*
C18B	1.1412 (6)	0.2543 (5)	0.9069 (2)	0.0462 (16)
H18D	1.227374	0.305976	0.918685	0.069*
H18E	1.090800	0.253878	0.935552	0.069*
H18F	1.087887	0.285643	0.878887	0.069*
C17B	1.2534 (6)	0.1286 (5)	0.8452 (2)	0.0434 (15)
H17D	1.282050	0.048499	0.835880	0.065*
H17E	1.333385	0.188087	0.857415	0.065*
H17F	1.199383	0.151187	0.814995	0.065*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0283 (5)	0.0195 (3)	0.0286 (4)	0.0078 (3)	0.0095 (3)	0.0002 (3)
S1	0.0293 (8)	0.0175 (5)	0.0410 (7)	0.0032 (5)	0.0132 (6)	−0.0022 (5)
P1	0.0220 (7)	0.0170 (5)	0.0207 (6)	0.0050 (5)	0.0055 (5)	−0.0001 (4)
N1	0.030 (3)	0.025 (2)	0.040 (2)	0.0057 (19)	0.018 (2)	0.0038 (18)
C1	0.018 (3)	0.012 (2)	0.029 (2)	0.0012 (19)	0.005 (2)	−0.0011 (17)
C6	0.027 (3)	0.022 (2)	0.022 (2)	0.007 (2)	0.002 (2)	−0.0002 (18)
C30	0.011 (3)	0.027 (2)	0.027 (2)	0.001 (2)	0.007 (2)	0.0031 (19)
C5	0.038 (3)	0.020 (2)	0.032 (3)	0.005 (2)	0.017 (3)	−0.003 (2)
C4	0.053 (4)	0.022 (2)	0.021 (2)	0.013 (2)	0.017 (3)	0.0016 (19)
C3	0.045 (4)	0.022 (2)	0.019 (2)	0.002 (2)	0.008 (2)	0.0009 (18)
C2	0.013 (3)	0.014 (2)	0.024 (2)	−0.0036 (19)	0.002 (2)	−0.0040 (17)
C7	0.028 (3)	0.024 (2)	0.016 (2)	0.004 (2)	0.007 (2)	0.0004 (18)
C8	0.030 (3)	0.024 (2)	0.018 (2)	0.003 (2)	0.008 (2)	0.0016 (18)
C9	0.018 (3)	0.028 (2)	0.026 (2)	0.001 (2)	0.006 (2)	0.0028 (19)
C10	0.030 (3)	0.027 (2)	0.020 (2)	0.008 (2)	0.005 (2)	0.0027 (19)
C11	0.028 (3)	0.024 (2)	0.022 (2)	0.006 (2)	0.006 (2)	0.0011 (19)
C12	0.029 (3)	0.021 (2)	0.018 (2)	0.008 (2)	0.001 (2)	0.0006 (18)
C22	0.027 (3)	0.021 (2)	0.024 (2)	0.011 (2)	0.006 (2)	0.0021 (18)
C23	0.019 (3)	0.027 (2)	0.036 (3)	0.003 (2)	0.004 (2)	0.009 (2)
C25	0.029 (3)	0.024 (2)	0.030 (3)	0.007 (2)	0.009 (2)	0.004 (2)
C24	0.040 (4)	0.022 (2)	0.034 (3)	0.012 (2)	0.008 (3)	−0.002 (2)
C26	0.022 (3)	0.025 (2)	0.026 (2)	0.011 (2)	0.012 (2)	0.0042 (19)
C28	0.021 (3)	0.030 (3)	0.031 (3)	−0.002 (2)	0.000 (2)	−0.003 (2)
C27	0.027 (3)	0.032 (3)	0.038 (3)	0.007 (2)	0.009 (3)	0.008 (2)
C29	0.037 (4)	0.023 (2)	0.036 (3)	−0.010 (2)	0.006 (3)	0.007 (2)
C13	0.031 (3)	0.019 (2)	0.029 (3)	0.004 (2)	0.008 (2)	0.0041 (19)
C14	0.031 (3)	0.023 (2)	0.041 (3)	−0.001 (2)	0.008 (3)	0.005 (2)
C15	0.060 (4)	0.031 (3)	0.027 (3)	−0.002 (3)	0.008 (3)	−0.001 (2)
C16	0.034 (3)	0.031 (3)	0.030 (3)	0.017 (2)	0.014 (3)	0.009 (2)
C18	0.035 (3)	0.031 (3)	0.036 (3)	0.015 (2)	0.015 (3)	0.004 (2)
C17	0.028 (3)	0.033 (3)	0.055 (4)	0.010 (3)	0.006 (3)	0.013 (3)
C19	0.019 (3)	0.021 (2)	0.034 (3)	0.004 (2)	0.010 (2)	0.005 (2)
C21	0.034 (3)	0.033 (3)	0.039 (3)	0.001 (2)	0.016 (3)	0.003 (2)
C20	0.040 (4)	0.024 (2)	0.037 (3)	0.001 (2)	0.010 (3)	−0.001 (2)
Cu1B	0.0311 (5)	0.0269 (4)	0.0269 (4)	0.0021 (3)	0.0033 (3)	−0.0012 (3)
S1B	0.0339 (9)	0.0276 (6)	0.0372 (7)	0.0067 (6)	0.0022 (6)	−0.0054 (5)
P1B	0.0297 (8)	0.0220 (6)	0.0226 (6)	0.0020 (5)	0.0066 (6)	0.0013 (5)
N1B	0.036 (3)	0.030 (2)	0.039 (2)	0.010 (2)	0.008 (2)	−0.001 (2)
C1B	0.032 (3)	0.018 (2)	0.026 (2)	0.000 (2)	0.010 (2)	−0.0006 (18)
C6B	0.031 (3)	0.026 (2)	0.028 (3)	−0.001 (2)	0.005 (2)	0.006 (2)
C5B	0.030 (3)	0.028 (3)	0.031 (3)	0.000 (2)	−0.002 (2)	0.001 (2)
C4B	0.036 (3)	0.030 (3)	0.019 (2)	0.001 (2)	−0.001 (2)	0.005 (2)
C3B	0.026 (3)	0.031 (3)	0.022 (2)	−0.003 (2)	0.004 (2)	0.004 (2)
C30B	0.032 (3)	0.030 (3)	0.024 (3)	0.009 (2)	0.009 (2)	−0.002 (2)
C2B	0.019 (3)	0.023 (2)	0.024 (2)	0.005 (2)	0.003 (2)	0.0003 (18)
C7B	0.013 (3)	0.026 (2)	0.018 (2)	−0.001 (2)	0.001 (2)	0.0043 (18)
C8B	0.029 (3)	0.027 (2)	0.027 (3)	0.007 (2)	0.010 (2)	0.007 (2)
C9B	0.021 (3)	0.034 (3)	0.034 (3)	0.002 (2)	0.006 (2)	0.002 (2)
C10B	0.028 (3)	0.029 (2)	0.021 (2)	−0.001 (2)	0.004 (2)	0.0044 (19)
C11B	0.034 (3)	0.023 (2)	0.029 (3)	−0.002 (2)	0.006 (3)	−0.002 (2)
C12B	0.018 (3)	0.029 (2)	0.021 (2)	0.003 (2)	−0.002 (2)	0.0031 (19)
C26B	0.034 (3)	0.031 (3)	0.030 (3)	0.010 (2)	0.012 (3)	0.007 (2)
C29B	0.044 (4)	0.037 (3)	0.041 (3)	0.011 (3)	0.020 (3)	0.004 (2)
C27B	0.033 (3)	0.036 (3)	0.038 (3)	0.001 (3)	0.014 (3)	0.009 (2)
C28B	0.033 (4)	0.051 (3)	0.034 (3)	0.007 (3)	0.008 (3)	−0.004 (2)
C22B	0.028 (3)	0.025 (2)	0.021 (2)	0.004 (2)	0.003 (2)	0.0034 (19)
C24B	0.029 (3)	0.020 (2)	0.040 (3)	0.001 (2)	−0.002 (3)	0.005 (2)
C25B	0.045 (4)	0.038 (3)	0.032 (3)	0.010 (3)	0.007 (3)	0.009 (2)
C23B	0.045 (4)	0.028 (3)	0.028 (3)	0.006 (2)	0.005 (3)	0.004 (2)
C13B	0.028 (3)	0.026 (2)	0.030 (3)	0.008 (2)	0.000 (2)	0.002 (2)
C15B	0.047 (4)	0.033 (3)	0.029 (3)	0.010 (3)	0.006 (3)	−0.001 (2)
C14B	0.040 (4)	0.030 (3)	0.033 (3)	0.016 (3)	0.006 (3)	0.004 (2)
C19B	0.024 (3)	0.021 (2)	0.029 (3)	0.003 (2)	0.001 (2)	−0.0004 (19)
C20B	0.040 (4)	0.026 (3)	0.036 (3)	0.013 (2)	0.012 (3)	0.001 (2)
C21B	0.041 (4)	0.037 (3)	0.037 (3)	0.009 (3)	0.008 (3)	0.007 (2)
C16B	0.030 (3)	0.032 (3)	0.034 (3)	−0.002 (2)	0.007 (3)	0.004 (2)
C18B	0.040 (4)	0.044 (3)	0.045 (3)	−0.018 (3)	0.014 (3)	−0.018 (3)
C17B	0.038 (4)	0.038 (3)	0.054 (4)	0.001 (3)	0.017 (3)	0.001 (3)

Geometric parameters (Å, º)

Cu1—S1	2.3159 (14)	Cu1B—S1B	2.3354 (16)
Cu1—P1	2.2124 (13)	Cu1B—P1B	2.2104 (15)
Cu1—N1^i	1.957 (4)	Cu1B—N1B	1.959 (4)
S1—C30	1.650 (4)	S1B—C30B	1.653 (5)
P1—C1	1.846 (5)	P1B—C1B	1.851 (5)
P1—C22	1.891 (5)	P1B—C26B	1.906 (5)
P1—C26	1.886 (5)	P1B—C22B	1.898 (5)
N1—C30	1.164 (6)	N1B—C30B^ii	1.156 (6)
C1—C6	1.412 (6)	C1B—C6B	1.408 (7)
C1—C2	1.428 (6)	C1B—C2B	1.419 (6)
C6—H6	0.9500	C6B—H6B	0.9500
C6—C5	1.390 (6)	C6B—C5B	1.384 (7)
C5—H5	0.9500	C5B—H5B	0.9500
C5—C4	1.378 (7)	C5B—C4B	1.372 (7)
C4—H4	0.9500	C4B—H4B	0.9500
C4—C3	1.373 (7)	C4B—C3B	1.377 (7)
C3—H3	0.9500	C3B—H3B	0.9500
C3—C2	1.393 (6)	C3B—C2B	1.410 (6)
C2—C7	1.507 (6)	C2B—C7B	1.498 (7)
C7—C8	1.412 (7)	C7B—C8B	1.408 (6)
C7—C12	1.412 (6)	C7B—C12B	1.420 (6)
C8—C9	1.397 (6)	C8B—C9B	1.395 (7)
C8—C13	1.518 (6)	C8B—C13B	1.530 (6)
C9—H9	0.9500	C9B—H9B	0.9500
C9—C10	1.404 (6)	C9B—C10B	1.398 (6)
C10—C11	1.377 (7)	C10B—C11B	1.374 (7)
C10—C16	1.531 (6)	C10B—C16B	1.534 (7)
C11—H11	0.9500	C11B—H11B	0.9500
C11—C12	1.393 (6)	C11B—C12B	1.390 (7)
C12—C19	1.525 (7)	C12B—C19B	1.525 (7)
C22—C23	1.536 (7)	C26B—C29B	1.530 (7)
C22—C25	1.536 (6)	C26B—C27B	1.546 (7)
C22—C24	1.543 (6)	C26B—C28B	1.537 (7)
C23—H23A	0.9800	C29B—H29D	0.9800
C23—H23B	0.9800	C29B—H29E	0.9800
C23—H23C	0.9800	C29B—H29F	0.9800
C25—H25A	0.9800	C27B—H27D	0.9800
C25—H25B	0.9800	C27B—H27E	0.9800
C25—H25C	0.9800	C27B—H27F	0.9800
C24—H24A	0.9800	C28B—H28D	0.9800
C24—H24B	0.9800	C28B—H28E	0.9800
C24—H24C	0.9800	C28B—H28F	0.9800
C26—C28	1.535 (6)	C22B—C24B	1.539 (7)
C26—C27	1.541 (6)	C22B—C25B	1.530 (6)
C26—C29	1.538 (6)	C22B—C23B	1.533 (7)
C28—H28A	0.9800	C24B—H24D	0.9800
C28—H28B	0.9800	C24B—H24E	0.9800
C28—H28C	0.9800	C24B—H24F	0.9800
C27—H27A	0.9800	C25B—H25D	0.9800
C27—H27B	0.9800	C25B—H25E	0.9800
C27—H27C	0.9800	C25B—H25F	0.9800
C29—H29A	0.9800	C23B—H23D	0.9800
C29—H29B	0.9800	C23B—H23E	0.9800
C29—H29C	0.9800	C23B—H23F	0.9800
C13—H13	1.0000	C13B—H13B	1.0000
C13—C14	1.529 (6)	C13B—C15B	1.548 (7)
C13—C15	1.541 (7)	C13B—C14B	1.516 (7)
C14—H14A	0.9800	C15B—H15D	0.9800
C14—H14B	0.9800	C15B—H15E	0.9800
C14—H14C	0.9800	C15B—H15F	0.9800
C15—H15A	0.9800	C14B—H14D	0.9800
C15—H15B	0.9800	C14B—H14E	0.9800
C15—H15C	0.9800	C14B—H14F	0.9800
C16—H16	1.0000	C19B—H19B	1.0000
C16—C18	1.528 (7)	C19B—C20B	1.531 (6)
C16—C17	1.524 (7)	C19B—C21B	1.538 (7)
C18—H18A	0.9800	C20B—H20D	0.9800
C18—H18B	0.9800	C20B—H20E	0.9800
C18—H18C	0.9800	C20B—H20F	0.9800
C17—H17A	0.9800	C21B—H21D	0.9800
C17—H17B	0.9800	C21B—H21E	0.9800
C17—H17C	0.9800	C21B—H21F	0.9800
C19—H19	1.0000	C16B—H16B	1.0000
C19—C21	1.536 (7)	C16B—C18B	1.527 (7)
C19—C20	1.527 (6)	C16B—C17B	1.520 (7)
C21—H21A	0.9800	C18B—H18D	0.9800
C21—H21B	0.9800	C18B—H18E	0.9800
C21—H21C	0.9800	C18B—H18F	0.9800
C20—H20A	0.9800	C17B—H17D	0.9800
C20—H20B	0.9800	C17B—H17E	0.9800
C20—H20C	0.9800	C17B—H17F	0.9800
P1—Cu1—S1	123.57 (5)	P1B—Cu1B—S1B	124.49 (5)
N1^i—Cu1—S1	101.40 (12)	N1B—Cu1B—S1B	100.79 (14)
N1^i—Cu1—P1	132.14 (13)	N1B—Cu1B—P1B	132.67 (15)
C30—S1—Cu1	98.62 (16)	C30B—S1B—Cu1B	97.75 (19)
C1—P1—Cu1	114.68 (15)	C1B—P1B—Cu1B	114.67 (16)
C1—P1—C22	105.88 (19)	C1B—P1B—C26B	105.7 (2)
C1—P1—C26	106.0 (2)	C1B—P1B—C22B	104.9 (2)
C22—P1—Cu1	112.96 (15)	C26B—P1B—Cu1B	109.88 (17)
C26—P1—Cu1	107.72 (14)	C22B—P1B—Cu1B	111.61 (17)
C26—P1—C22	109.3 (2)	C22B—P1B—C26B	109.8 (2)
C30—N1—Cu1^i	156.7 (4)	C30B^ii—N1B—Cu1B	157.9 (4)
C6—C1—P1	119.0 (4)	C6B—C1B—P1B	119.9 (3)
C6—C1—C2	118.0 (4)	C6B—C1B—C2B	118.2 (4)
C2—C1—P1	122.9 (3)	C2B—C1B—P1B	121.9 (4)
C1—C6—H6	119.0	C1B—C6B—H6B	118.9
C5—C6—C1	121.9 (5)	C5B—C6B—C1B	122.2 (5)
C5—C6—H6	119.0	C5B—C6B—H6B	118.9
N1—C30—S1	178.7 (4)	C6B—C5B—H5B	120.1
C6—C5—H5	120.2	C4B—C5B—C6B	119.9 (5)
C4—C5—C6	119.7 (4)	C4B—C5B—H5B	120.1
C4—C5—H5	120.2	C5B—C4B—H4B	120.4
C5—C4—H4	120.5	C5B—C4B—C3B	119.1 (5)
C3—C4—C5	119.0 (4)	C3B—C4B—H4B	120.4
C3—C4—H4	120.5	C4B—C3B—H3B	118.4
C4—C3—H3	118.0	C4B—C3B—C2B	123.2 (4)
C4—C3—C2	123.9 (5)	C2B—C3B—H3B	118.4
C2—C3—H3	118.0	N1B^ii—C30B—S1B	178.9 (5)
C1—C2—C7	125.6 (4)	C1B—C2B—C7B	127.0 (4)
C3—C2—C1	117.4 (4)	C3B—C2B—C1B	117.3 (4)
C3—C2—C7	116.9 (4)	C3B—C2B—C7B	115.7 (4)
C8—C7—C2	120.7 (4)	C8B—C7B—C2B	121.1 (4)
C8—C7—C12	119.4 (4)	C8B—C7B—C12B	118.5 (4)
C12—C7—C2	119.3 (4)	C12B—C7B—C2B	119.6 (4)
C7—C8—C13	121.7 (4)	C7B—C8B—C13B	121.2 (5)
C9—C8—C7	119.1 (4)	C9B—C8B—C7B	119.7 (4)
C9—C8—C13	118.9 (4)	C9B—C8B—C13B	119.0 (5)
C8—C9—H9	119.2	C8B—C9B—H9B	119.0
C8—C9—C10	121.6 (5)	C8B—C9B—C10B	122.1 (5)
C10—C9—H9	119.2	C10B—C9B—H9B	119.0
C9—C10—C16	117.9 (4)	C9B—C10B—C16B	119.1 (5)
C11—C10—C9	118.2 (4)	C11B—C10B—C9B	117.3 (5)
C11—C10—C16	123.8 (4)	C11B—C10B—C16B	123.6 (4)
C10—C11—H11	118.8	C10B—C11B—H11B	118.4
C10—C11—C12	122.3 (4)	C10B—C11B—C12B	123.2 (5)
C12—C11—H11	118.8	C12B—C11B—H11B	118.4
C7—C12—C19	121.8 (4)	C7B—C12B—C19B	121.9 (4)
C11—C12—C7	119.2 (5)	C11B—C12B—C7B	119.1 (4)
C11—C12—C19	118.8 (4)	C11B—C12B—C19B	118.8 (4)
C23—C22—P1	106.7 (3)	C29B—C26B—P1B	107.7 (3)
C23—C22—C25	108.0 (4)	C29B—C26B—C27B	108.5 (5)
C23—C22—C24	107.3 (4)	C29B—C26B—C28B	107.6 (4)
C25—C22—P1	107.7 (3)	C27B—C26B—P1B	117.7 (3)
C25—C22—C24	109.7 (4)	C28B—C26B—P1B	107.0 (4)
C24—C22—P1	117.2 (3)	C28B—C26B—C27B	108.0 (4)
C22—C23—H23A	109.5	C26B—C29B—H29D	109.5
C22—C23—H23B	109.5	C26B—C29B—H29E	109.5
C22—C23—H23C	109.5	C26B—C29B—H29F	109.5
H23A—C23—H23B	109.5	H29D—C29B—H29E	109.5
H23A—C23—H23C	109.5	H29D—C29B—H29F	109.5
H23B—C23—H23C	109.5	H29E—C29B—H29F	109.5
C22—C25—H25A	109.5	C26B—C27B—H27D	109.5
C22—C25—H25B	109.5	C26B—C27B—H27E	109.5
C22—C25—H25C	109.5	C26B—C27B—H27F	109.5
H25A—C25—H25B	109.5	H27D—C27B—H27E	109.5
H25A—C25—H25C	109.5	H27D—C27B—H27F	109.5
H25B—C25—H25C	109.5	H27E—C27B—H27F	109.5
C22—C24—H24A	109.5	C26B—C28B—H28D	109.5
C22—C24—H24B	109.5	C26B—C28B—H28E	109.5
C22—C24—H24C	109.5	C26B—C28B—H28F	109.5
H24A—C24—H24B	109.5	H28D—C28B—H28E	109.5
H24A—C24—H24C	109.5	H28D—C28B—H28F	109.5
H24B—C24—H24C	109.5	H28E—C28B—H28F	109.5
C28—C26—P1	108.3 (3)	C24B—C22B—P1B	117.5 (3)
C28—C26—C27	107.4 (4)	C25B—C22B—P1B	107.6 (3)
C28—C26—C29	107.2 (4)	C25B—C22B—C24B	109.9 (4)
C27—C26—P1	118.7 (3)	C25B—C22B—C23B	107.8 (4)
C29—C26—P1	107.3 (3)	C23B—C22B—P1B	106.3 (3)
C29—C26—C27	107.4 (4)	C23B—C22B—C24B	107.4 (4)
C26—C28—H28A	109.5	C22B—C24B—H24D	109.5
C26—C28—H28B	109.5	C22B—C24B—H24E	109.5
C26—C28—H28C	109.5	C22B—C24B—H24F	109.5
H28A—C28—H28B	109.5	H24D—C24B—H24E	109.5
H28A—C28—H28C	109.5	H24D—C24B—H24F	109.5
H28B—C28—H28C	109.5	H24E—C24B—H24F	109.5
C26—C27—H27A	109.5	C22B—C25B—H25D	109.5
C26—C27—H27B	109.5	C22B—C25B—H25E	109.5
C26—C27—H27C	109.5	C22B—C25B—H25F	109.5
H27A—C27—H27B	109.5	H25D—C25B—H25E	109.5
H27A—C27—H27C	109.5	H25D—C25B—H25F	109.5
H27B—C27—H27C	109.5	H25E—C25B—H25F	109.5
C26—C29—H29A	109.5	C22B—C23B—H23D	109.5
C26—C29—H29B	109.5	C22B—C23B—H23E	109.5
C26—C29—H29C	109.5	C22B—C23B—H23F	109.5
H29A—C29—H29B	109.5	H23D—C23B—H23E	109.5
H29A—C29—H29C	109.5	H23D—C23B—H23F	109.5
H29B—C29—H29C	109.5	H23E—C23B—H23F	109.5
C8—C13—H13	107.9	C8B—C13B—H13B	107.8
C8—C13—C14	113.9 (4)	C8B—C13B—C15B	109.5 (4)
C8—C13—C15	109.6 (4)	C15B—C13B—H13B	107.8
C14—C13—H13	107.9	C14B—C13B—C8B	114.0 (4)
C14—C13—C15	109.5 (4)	C14B—C13B—H13B	107.8
C15—C13—H13	107.9	C14B—C13B—C15B	109.8 (4)
C13—C14—H14A	109.5	C13B—C15B—H15D	109.5
C13—C14—H14B	109.5	C13B—C15B—H15E	109.5
C13—C14—H14C	109.5	C13B—C15B—H15F	109.5
H14A—C14—H14B	109.5	H15D—C15B—H15E	109.5
H14A—C14—H14C	109.5	H15D—C15B—H15F	109.5
H14B—C14—H14C	109.5	H15E—C15B—H15F	109.5
C13—C15—H15A	109.5	C13B—C14B—H14D	109.5
C13—C15—H15B	109.5	C13B—C14B—H14E	109.5
C13—C15—H15C	109.5	C13B—C14B—H14F	109.5
H15A—C15—H15B	109.5	H14D—C14B—H14E	109.5
H15A—C15—H15C	109.5	H14D—C14B—H14F	109.5
H15B—C15—H15C	109.5	H14E—C14B—H14F	109.5
C10—C16—H16	106.9	C12B—C19B—H19B	108.2
C18—C16—C10	113.9 (4)	C12B—C19B—C20B	112.3 (4)
C18—C16—H16	106.9	C12B—C19B—C21B	109.7 (4)
C17—C16—C10	111.0 (4)	C20B—C19B—H19B	108.2
C17—C16—H16	106.9	C20B—C19B—C21B	110.1 (4)
C17—C16—C18	110.8 (4)	C21B—C19B—H19B	108.2
C16—C18—H18A	109.5	C19B—C20B—H20D	109.5
C16—C18—H18B	109.5	C19B—C20B—H20E	109.5
C16—C18—H18C	109.5	C19B—C20B—H20F	109.5
H18A—C18—H18B	109.5	H20D—C20B—H20E	109.5
H18A—C18—H18C	109.5	H20D—C20B—H20F	109.5
H18B—C18—H18C	109.5	H20E—C20B—H20F	109.5
C16—C17—H17A	109.5	C19B—C21B—H21D	109.5
C16—C17—H17B	109.5	C19B—C21B—H21E	109.5
C16—C17—H17C	109.5	C19B—C21B—H21F	109.5
H17A—C17—H17B	109.5	H21D—C21B—H21E	109.5
H17A—C17—H17C	109.5	H21D—C21B—H21F	109.5
H17B—C17—H17C	109.5	H21E—C21B—H21F	109.5
C12—C19—H19	107.8	C10B—C16B—H16B	108.1
C12—C19—C21	110.1 (4)	C18B—C16B—C10B	112.9 (5)
C12—C19—C20	113.8 (4)	C18B—C16B—H16B	108.1
C21—C19—H19	107.8	C17B—C16B—C10B	110.7 (4)
C20—C19—H19	107.8	C17B—C16B—H16B	108.1
C20—C19—C21	109.4 (4)	C17B—C16B—C18B	108.9 (4)
C19—C21—H21A	109.5	C16B—C18B—H18D	109.5
C19—C21—H21B	109.5	C16B—C18B—H18E	109.5
C19—C21—H21C	109.5	C16B—C18B—H18F	109.5
H21A—C21—H21B	109.5	H18D—C18B—H18E	109.5
H21A—C21—H21C	109.5	H18D—C18B—H18F	109.5
H21B—C21—H21C	109.5	H18E—C18B—H18F	109.5
C19—C20—H20A	109.5	C16B—C17B—H17D	109.5
C19—C20—H20B	109.5	C16B—C17B—H17E	109.5
C19—C20—H20C	109.5	C16B—C17B—H17F	109.5
H20A—C20—H20B	109.5	H17D—C17B—H17E	109.5
H20A—C20—H20C	109.5	H17D—C17B—H17F	109.5
H20B—C20—H20C	109.5	H17E—C17B—H17F	109.5
Cu1—P1—C1—C6	−168.6 (3)	C26—P1—C22—C25	−58.5 (4)
Cu1—P1—C1—C2	6.9 (4)	C26—P1—C22—C24	65.6 (4)
Cu1—P1—C22—C23	−54.3 (3)	C13—C8—C9—C10	172.6 (4)
Cu1—P1—C22—C25	61.4 (4)	C16—C10—C11—C12	179.0 (4)
Cu1—P1—C22—C24	−174.4 (3)	Cu1B—P1B—C1B—C6B	−174.0 (3)
Cu1—P1—C26—C28	−35.2 (3)	Cu1B—P1B—C1B—C2B	3.7 (4)
Cu1—P1—C26—C27	−157.9 (3)	Cu1B—P1B—C22B—C24B	−175.6 (3)
Cu1—P1—C26—C29	80.2 (3)	Cu1B—P1B—C22B—C25B	59.8 (4)
P1—C1—C6—C5	176.5 (4)	Cu1B—P1B—C22B—C23B	−55.4 (3)
P1—C1—C2—C3	−177.8 (3)	P1B—C1B—C6B—C5B	179.8 (4)
P1—C1—C2—C7	−1.5 (6)	P1B—C1B—C2B—C3B	−178.3 (3)
C1—P1—C22—C23	72.0 (3)	P1B—C1B—C2B—C7B	−0.8 (7)
C1—P1—C22—C25	−172.3 (3)	C1B—P1B—C22B—C24B	−50.9 (4)
C1—P1—C22—C24	−48.1 (4)	C1B—P1B—C22B—C25B	−175.4 (4)
C1—P1—C26—C28	−158.4 (3)	C1B—P1B—C22B—C23B	69.4 (4)
C1—P1—C26—C27	78.9 (4)	C1B—C6B—C5B—C4B	−1.5 (8)
C1—P1—C26—C29	−43.0 (3)	C1B—C2B—C7B—C8B	97.5 (6)
C1—C6—C5—C4	0.6 (7)	C1B—C2B—C7B—C12B	−92.8 (6)
C1—C2—C7—C8	94.0 (6)	C6B—C1B—C2B—C3B	−0.6 (6)
C1—C2—C7—C12	−94.3 (5)	C6B—C1B—C2B—C7B	176.9 (4)
C6—C1—C2—C3	−2.3 (6)	C6B—C5B—C4B—C3B	−0.5 (7)
C6—C1—C2—C7	174.1 (4)	C5B—C4B—C3B—C2B	1.9 (8)
C6—C5—C4—C3	−0.3 (7)	C4B—C3B—C2B—C1B	−1.3 (7)
C5—C4—C3—C2	−1.5 (8)	C4B—C3B—C2B—C7B	−179.2 (4)
C4—C3—C2—C1	2.7 (7)	C3B—C2B—C7B—C8B	−84.9 (5)
C4—C3—C2—C7	−174.0 (4)	C3B—C2B—C7B—C12B	84.9 (5)
C3—C2—C7—C8	−89.6 (5)	C2B—C1B—C6B—C5B	2.0 (7)
C3—C2—C7—C12	82.1 (5)	C2B—C7B—C8B—C9B	174.2 (4)
C2—C1—C6—C5	0.7 (7)	C2B—C7B—C8B—C13B	−1.0 (7)
C2—C7—C8—C9	175.0 (4)	C2B—C7B—C12B—C11B	−174.0 (4)
C2—C7—C8—C13	1.1 (7)	C2B—C7B—C12B—C19B	0.4 (6)
C2—C7—C12—C11	−174.8 (4)	C7B—C8B—C9B—C10B	−1.9 (7)
C2—C7—C12—C19	0.3 (7)	C7B—C8B—C13B—C15B	94.6 (5)
C7—C8—C9—C10	−1.4 (7)	C7B—C8B—C13B—C14B	−141.9 (5)
C7—C8—C13—C14	−144.1 (5)	C7B—C12B—C19B—C20B	134.2 (4)
C7—C8—C13—C15	92.9 (6)	C7B—C12B—C19B—C21B	−103.0 (5)
C7—C12—C19—C21	−94.6 (5)	C8B—C7B—C12B—C11B	−4.1 (6)
C7—C12—C19—C20	142.1 (4)	C8B—C7B—C12B—C19B	170.4 (4)
C8—C7—C12—C11	−3.0 (7)	C8B—C9B—C10B—C11B	−1.0 (7)
C8—C7—C12—C19	172.1 (4)	C8B—C9B—C10B—C16B	−178.8 (4)
C8—C9—C10—C11	−0.8 (7)	C9B—C8B—C13B—C15B	−80.6 (6)
C8—C9—C10—C16	−178.7 (4)	C9B—C8B—C13B—C14B	42.9 (6)
C9—C8—C13—C14	42.0 (6)	C9B—C10B—C11B—C12B	1.4 (7)
C9—C8—C13—C15	−81.0 (5)	C9B—C10B—C16B—C18B	177.9 (5)
C9—C10—C11—C12	1.1 (7)	C9B—C10B—C16B—C17B	55.5 (6)
C9—C10—C16—C18	−174.3 (4)	C10B—C11B—C12B—C7B	1.2 (7)
C9—C10—C16—C17	59.7 (6)	C10B—C11B—C12B—C19B	−173.4 (4)
C10—C11—C12—C7	0.8 (7)	C11B—C10B—C16B—C18B	0.3 (7)
C10—C11—C12—C19	−174.4 (4)	C11B—C10B—C16B—C17B	−122.1 (5)
C11—C10—C16—C18	7.8 (7)	C11B—C12B—C19B—C20B	−51.3 (6)
C11—C10—C16—C17	−118.2 (5)	C11B—C12B—C19B—C21B	71.5 (5)
C11—C12—C19—C21	80.5 (5)	C12B—C7B—C8B—C9B	4.4 (7)
C11—C12—C19—C20	−42.8 (6)	C12B—C7B—C8B—C13B	−170.8 (4)
C12—C7—C8—C9	3.3 (7)	C26B—P1B—C1B—C6B	−52.8 (4)
C12—C7—C8—C13	−170.6 (4)	C26B—P1B—C1B—C2B	124.9 (4)
C22—P1—C1—C6	66.2 (4)	C26B—P1B—C22B—C24B	62.3 (4)
C22—P1—C1—C2	−118.3 (4)	C26B—P1B—C22B—C25B	−62.3 (4)
C22—P1—C26—C28	87.9 (3)	C26B—P1B—C22B—C23B	−177.5 (3)
C22—P1—C26—C27	−34.8 (4)	C22B—P1B—C1B—C6B	63.3 (4)
C22—P1—C26—C29	−156.7 (3)	C22B—P1B—C1B—C2B	−119.1 (4)
C26—P1—C1—C6	−49.9 (4)	C13B—C8B—C9B—C10B	173.4 (4)
C26—P1—C1—C2	125.6 (4)	C16B—C10B—C11B—C12B	179.0 (4)
C26—P1—C22—C23	−174.2 (3)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+2, −y, −z+2.