[Bis­(di­phenyl­phosphino)­ethane-P,P')][bis­(di­phenyl­phosphino)­ethane sulfide-P)]­(thio­benzoato-S)copper(I)

The crystal structure of the title compound, [(dppe-P,P')Cu(dppeS-P)(SC{O}Ph)], [Cu(C₇H₅OS)(C₂₆H₂₄P₂S)(C₂₆H₂₄P₂)], is reported. In this monomeric compound, the Cu atom has a tetrahedral coordination geometry, with a P₃CuS core.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.011 Å
• R factor = 0.071
• wR factor = 0.178
• Data-to-parameter ratio = 17.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

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S1. Comment

Diversified solid-state structures, bonding modes and potential applications as single-source molecular precursors to metal sulfide bulk materials, thin films and nanoparticles have stimulated our interest in the metal thiocarboxylate chemistry. We have characterized the structures of homoleptic anionic thiocarboxylate complexes of copper(I) and silver(I), (Ph₄P)[M(SC{O}Me)₂] and (Et₃NH)[M(SC{O}Ph)₂] (Sampanthar et al. 2000). More recently, we have reported the structures of triphenylphosphine and dppm [bis(diphenylphosphino)methane] adducts of copper(I) and silver(I) thiocarboxylates (Deivaraj et al., 2000; Deivaraj & Vittal, 2001a,b). Hence, as part of our systematic exploration, we were set out to synthesize and characterize dppe [bis-1,2(diphenylphosphino)ethane] adducts of copper thiobenzoate. During an attempt to synthesize the compound [(dppe-P,P')Cu(SC{O}Ph)(µ-dppe-P,P')Cu(SC{O}Ph)(dppe-P,P')], we, in fact, obtained the title compound, (I), as a decomposition product. The formation of the monosulfide of the dppe ligand, dppeS, had prevented the dppe ligand bridging two Cu atoms and thus led to a monomeric structure instead of a dimeric compound, as expected.

The dppe ligand chelates to the Cu atom, while the monosulfide of the dppe (dppeS) is bonded to the metal through the P atom. The thiobenzoate anion binds to the metal atom in a monodentate fashion through its S-donor site, thus accounting for the distorted tetrahedral geometry around the copper(I) metal atom, with a P₃S donor set. The S atom of the dppeS ligand is not involved in any bonding.

The Cu^I—P distances are 2.293 (2), 2.302 (2) and 2.342 (2) Å, while the Cu—S distance is 2.306 (2) Å. The Cu^I—P distances fall within the normal range observed in the literature (2.220–2.420 Å; Allen et al., 1991). The Cu^I—S distance is comparable to those observed in compounds of types [(Ph₃P)₃Cu₄(SC{O}Ph)₄] and [(Ph₃P)₂Cu(µ-SC{O}Ph—S)₂Cu(PPh₃)] (Speier et al., 1991), however, they are shorter than the Cu^I—S distances observed in [(Ph₃P)₂Cu(SC{O}Ph)] (Deivaraj et al., 2000; Speier et al., 1991). The C—S and C—O distances are 1.725 (6) and 1.245 (6) Å, respectively. The Cu^I—O bonding distance, 3.394 (4) Å, is longer than the sum of their van der Waals radii (2.9 Å; Bondi, 1964), indicating the absence of any weak interaction between them.

The angles around the Cu atom range from 88.91 (6) to 119.85 (6)°, which denotes the extent of distortion of the tetrahedral geometry around the metal atom. The dihedral angle between the Cu1/S1/C1/O1 plane and the C2—C7 phenyl ring is 5.0 (3)°. This is a common feature observed in most of the thiobenzoate compounds. The torsion angle P1—C8—C9—P2 of the dppe ligand, 58.9 (5)°, indicates the staggered five-membered chelate ring formed by the dppe ligand with the Cu1 atom.

S2. Experimental

Slow diffusion of diethylether into a THF solution of the compound [(dppe)₂Cu₂(µ-dppe)(SC{O}Ph)₂] resulted in the title compound, [(dppe-P,P')Cu(SC{O}Ph)(dppeS-P).

S3. Refinement

The phenyl ring (C1D—C6D) attached to P2 was found to be disordered. Three different orientations were modeled and their occupancies were refined to 0.391 (9), 0.138 (8) and 0.471 (7). Similarly, the two different orientations of a disordered phenyl ring (C1E—C6E) attached to P3 were found to have occupancies of 0.753 (7) and 0.247 (7). A common isotropic displacement parameter was refined for each disorder model which were confined to regular hexagons. Relatively higher agreement factors may be attributed to the two disordered phenyl rings present in the dppe ligand.

Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Figures

Fig. 1. A view of (I) showing the labelling of the non-H atoms. Displacement ellipsoids are shown at 25% probability levels. For clarity, only the major conformers of the disordered phenyl rings are shown.

(I)

Crystal data

[Cu(C7H5OS)(C26H24P2S)(C26H24P2)]	F(000) = 4288
Mr = 1029.55	Dx = 1.292 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 36.7805 (2) Å	Cell parameters from 8184 reflections
b = 15.5630 (2) Å	θ = 2.1–25.0°
c = 18.6053 (2) Å	µ = 0.65 mm^−1
β = 96.486 (1)°	T = 293 K
V = 10581.79 (19) Å^3	Multifaceted block, gold
Z = 8	0.38 × 0.27 × 0.18 mm

Data collection

Bruker SMART CCD diffractometer	9137 independent reflections
Radiation source: fine-focus sealed tube	5747 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.048
ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 2000)	h = −43→41
Tmin = 0.777, Tmax = 0.889	k = −17→18
24925 measured reflections	l = −20→22

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.071	Riding
wR(F^2) = 0.178	w = 1/[σ^2(Fo^2) + (0.0727P)^2 + 30.987P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.001
9137 reflections	Δρmax = 0.73 e Å^−3
536 parameters	Δρmin = −0.77 e Å^−3
22 restraints	Extinction correction: SHELXTL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00029 (6)

Special details

Experimental. The diffraction experiments were carried out on a Siemens SMART CCD diffractometer with a Mo K alpha sealed tube at 23°C. Preliminary cell constants were obtained from 45 frames (width of 0.3deg in omega). Final cell parameters were obtained by global refinements of reflections obtained from integration of all the frame data. A frame width of 0.3° in omega and a counting time of 20 s per frame at a crystal-to-detector distance of 5.0 cm. The collected frames were integrated using the preliminary cell-orientation matrix.

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cu1	0.644147 (16)	0.77622 (4)	0.67456 (3)	0.0479 (2)
S1	0.66236 (4)	0.63933 (9)	0.64748 (9)	0.0601 (4)
O1	0.59736 (11)	0.6226 (2)	0.5729 (2)	0.0736 (12)
P1	0.58903 (4)	0.79681 (9)	0.71956 (8)	0.0526 (4)
P2	0.67405 (4)	0.82095 (10)	0.78610 (8)	0.0573 (4)
P3	0.65581 (3)	0.86079 (8)	0.57891 (7)	0.0462 (3)
P4	0.58074 (4)	0.78203 (9)	0.38456 (8)	0.0527 (4)
S2	0.58019 (5)	0.88956 (11)	0.32946 (9)	0.0794 (5)
C1	0.62784 (15)	0.5900 (3)	0.5919 (3)	0.0550 (14)
C2	0.63553 (16)	0.5009 (3)	0.5650 (3)	0.0539 (13)
C3	0.60811 (19)	0.4575 (4)	0.5231 (4)	0.0792 (19)
H3	0.5853	0.4833	0.5128	0.095*
C4	0.6140 (3)	0.3751 (5)	0.4958 (4)	0.099 (2)
H4	0.5952	0.3459	0.4683	0.119*
C5	0.6479 (3)	0.3385 (5)	0.5101 (5)	0.098 (2)
H5	0.6524	0.2848	0.4910	0.117*
C6	0.6747 (2)	0.3801 (5)	0.5519 (4)	0.094 (2)
H6	0.6974	0.3538	0.5626	0.113*
C7	0.66906 (17)	0.4610 (4)	0.5790 (4)	0.0716 (17)
H7	0.6880	0.4888	0.6071	0.086*
C8	0.60184 (17)	0.8679 (4)	0.7978 (3)	0.0718 (17)
H8A	0.6072	0.9251	0.7812	0.086*
H8B	0.5818	0.8720	0.8272	0.086*
C9	0.63556 (17)	0.8304 (4)	0.8423 (3)	0.0739 (18)
H9A	0.6297	0.7741	0.8604	0.089*
H9B	0.6427	0.8672	0.8835	0.089*
C10	0.63890 (14)	0.8194 (4)	0.4877 (3)	0.0567 (14)
H10A	0.6430	0.8627	0.4521	0.068*
H10B	0.6531	0.7690	0.4779	0.068*
C11	0.59868 (13)	0.7958 (3)	0.4789 (3)	0.0513 (13)
H11A	0.5850	0.8405	0.5002	0.062*
H11B	0.5954	0.7428	0.5049	0.062*
C1A	0.56731 (14)	0.7062 (4)	0.7614 (3)	0.0566 (14)
C2A	0.54113 (17)	0.7181 (5)	0.8088 (4)	0.083 (2)
H2A	0.5340	0.7734	0.8200	0.100*
C3A	0.5258 (2)	0.6484 (6)	0.8391 (4)	0.099 (2)
H3A	0.5082	0.6570	0.8705	0.118*
C4A	0.53595 (19)	0.5665 (5)	0.8239 (4)	0.093 (2)
H4A	0.5253	0.5198	0.8446	0.112*
C5A	0.56185 (19)	0.5541 (5)	0.7782 (4)	0.092 (2)
H5A	0.5690	0.4986	0.7678	0.111*
C6A	0.57758 (17)	0.6237 (4)	0.7473 (4)	0.0709 (17)
H6A	0.5954	0.6144	0.7165	0.085*
C1B	0.55038 (15)	0.8511 (4)	0.6677 (4)	0.0619 (15)
C2B	0.53463 (16)	0.8130 (4)	0.6064 (3)	0.0675 (16)
H2B	0.5432	0.7597	0.5933	0.081*
C3B	0.50586 (18)	0.8516 (6)	0.5622 (4)	0.095 (2)
H3B	0.4952	0.8238	0.5209	0.114*
C4B	0.4937 (2)	0.9302 (7)	0.5804 (7)	0.124 (4)
H4B	0.4750	0.9573	0.5508	0.149*
C5B	0.5087 (3)	0.9689 (7)	0.6420 (8)	0.171 (5)
H5B	0.4998	1.0220	0.6548	0.205*
C6B	0.5371 (2)	0.9312 (5)	0.6861 (6)	0.138 (4)
H6B	0.5473	0.9590	0.7278	0.165*
C1C	0.69631 (15)	0.9259 (4)	0.7958 (3)	0.0608 (15)
C2C	0.72986 (17)	0.9363 (4)	0.7700 (4)	0.0776 (18)
H2C	0.7407	0.8897	0.7494	0.093*
C3C	0.7478 (2)	1.0154 (5)	0.7742 (4)	0.090 (2)
H3C	0.7709	1.0204	0.7591	0.109*
C4C	0.7315 (2)	1.0846 (6)	0.8000 (5)	0.104 (3)
H4C	0.7433	1.1375	0.8022	0.125*
C5C	0.6983 (3)	1.0777 (5)	0.8226 (5)	0.126 (3)
H5C	0.6870	1.1262	0.8390	0.152*
C6C	0.6807 (2)	0.9984 (5)	0.8217 (4)	0.105 (3)
H6C	0.6580	0.9944	0.8389	0.126*
C1D	0.7033 (3)	0.7513 (8)	0.8471 (6)	0.079 (3)*	0.391 (9)
C2D	0.7033 (3)	0.6631 (8)	0.8354 (5)	0.079 (3)*	0.391 (9)
H2D	0.6884	0.6395	0.7967	0.095*	0.391 (9)
C3D	0.7257 (3)	0.6102 (6)	0.8815 (6)	0.079 (3)*	0.391 (9)
H3D	0.7257	0.5512	0.8737	0.095*	0.391 (9)
C4D	0.7480 (3)	0.6454 (7)	0.9393 (6)	0.079 (3)*	0.391 (9)
H4D	0.7629	0.6100	0.9702	0.095*	0.391 (9)
C5D	0.7479 (3)	0.7336 (7)	0.9510 (5)	0.079 (3)*	0.391 (9)
H5D	0.7629	0.7572	0.9897	0.095*	0.391 (9)
C6D	0.7256 (3)	0.7866 (6)	0.9049 (7)	0.079 (3)*	0.391 (9)
H6D	0.7256	0.8456	0.9127	0.095*	0.391 (9)
C1DA	0.7050 (6)	0.7694 (17)	0.8534 (12)	0.060 (6)*	0.138 (8)
C2DA	0.7162 (7)	0.7982 (15)	0.9231 (13)	0.060 (6)*	0.138 (8)
H2DA	0.7043	0.8443	0.9421	0.071*	0.138 (8)
C3DA	0.7451 (7)	0.7580 (16)	0.9645 (10)	0.060 (6)*	0.138 (8)
H3DA	0.7526	0.7772	1.0112	0.071*	0.138 (8)
C4DA	0.7628 (6)	0.6890 (16)	0.9362 (12)	0.060 (6)*	0.138 (8)
H4DA	0.7822	0.6621	0.9639	0.071*	0.138 (8)
C5DA	0.7516 (7)	0.6602 (16)	0.8665 (13)	0.060 (6)*	0.138 (8)
H5DA	0.7635	0.6141	0.8476	0.071*	0.138 (8)
C6DA	0.7227 (7)	0.7004 (17)	0.8251 (10)	0.060 (6)*	0.138 (8)
H6DA	0.7152	0.6812	0.7785	0.071*	0.138 (8)
C1DB	0.7086 (2)	0.7425 (6)	0.8310 (6)	0.085 (2)*	0.471 (7)
C2DB	0.7460 (3)	0.7579 (5)	0.8433 (5)	0.085 (2)*	0.471 (7)
H2DB	0.7555	0.8106	0.8309	0.102*	0.471 (7)
C3DB	0.76941 (19)	0.6944 (6)	0.8741 (5)	0.085 (2)*	0.471 (7)
H3DB	0.7944	0.7047	0.8824	0.102*	0.471 (7)
C4DB	0.7553 (2)	0.6156 (5)	0.8927 (5)	0.085 (2)*	0.471 (7)
H4DB	0.7710	0.5731	0.9133	0.102*	0.471 (7)
C5DB	0.7179 (3)	0.6002 (5)	0.8804 (6)	0.085 (2)*	0.471 (7)
H5DB	0.7085	0.5475	0.8928	0.102*	0.471 (7)
C6DB	0.69458 (19)	0.6637 (7)	0.8495 (6)	0.085 (2)*	0.471 (7)
H6DB	0.6695	0.6534	0.8413	0.102*	0.471 (7)
C1E	0.63870 (15)	0.9708 (3)	0.5742 (3)	0.0777 (13)*	0.763 (7)
C2E	0.61823 (16)	1.0081 (3)	0.5149 (2)	0.0777 (13)*	0.763 (7)
H2E	0.6134	0.9773	0.4720	0.093*	0.763 (7)
C3E	0.60503 (14)	1.0913 (3)	0.5197 (3)	0.0777 (13)*	0.763 (7)
H3E	0.5913	1.1163	0.4800	0.093*	0.763 (7)
C4E	0.61230 (15)	1.1373 (3)	0.5838 (3)	0.0777 (13)*	0.763 (7)
H4E	0.6035	1.1930	0.5870	0.093*	0.763 (7)
C5E	0.63276 (15)	1.1000 (3)	0.6430 (2)	0.0777 (13)*	0.763 (7)
H5E	0.6376	1.1308	0.6859	0.093*	0.763 (7)
C6E	0.64596 (15)	1.0168 (3)	0.6383 (3)	0.0777 (13)*	0.763 (7)
H6E	0.6597	0.9918	0.6779	0.093*	0.763 (7)
C1EA	0.6408 (4)	0.9768 (7)	0.5874 (10)	0.069 (4)*	0.237 (7)
C2EA	0.6673 (3)	1.0367 (10)	0.6122 (9)	0.069 (4)*	0.237 (7)
H2EA	0.6918	1.0202	0.6208	0.082*	0.237 (7)
C3EA	0.6574 (4)	1.1212 (8)	0.6241 (9)	0.069 (4)*	0.237 (7)
H3EA	0.6751	1.1613	0.6407	0.082*	0.237 (7)
C4EA	0.6209 (4)	1.1458 (7)	0.6113 (9)	0.069 (4)*	0.237 (7)
H4EA	0.6142	1.2023	0.6192	0.082*	0.237 (7)
C5EA	0.5944 (3)	1.0859 (9)	0.5864 (9)	0.069 (4)*	0.237 (7)
H5EA	0.5700	1.1024	0.5778	0.082*	0.237 (7)
C6EA	0.6043 (4)	1.0014 (8)	0.5745 (9)	0.069 (4)*	0.237 (7)
H6EA	0.5866	0.9613	0.5579	0.082*	0.237 (7)
C1F	0.70430 (13)	0.8705 (3)	0.5654 (3)	0.0537 (13)
C2F	0.71593 (19)	0.9246 (5)	0.5137 (4)	0.095 (2)
H2F	0.6992	0.9609	0.4876	0.114*
C3F	0.7526 (2)	0.9251 (6)	0.5000 (5)	0.118 (3)
H3F	0.7602	0.9620	0.4653	0.142*
C4F	0.7772 (2)	0.8720 (6)	0.5375 (5)	0.099 (3)
H4F	0.8018	0.8738	0.5299	0.118*
C5F	0.76583 (19)	0.8173 (5)	0.5849 (5)	0.107 (3)
H5F	0.7825	0.7794	0.6092	0.128*
C6F	0.72960 (17)	0.8155 (5)	0.5992 (4)	0.087 (2)
H6F	0.7224	0.7760	0.6324	0.104*
C1G	0.53548 (14)	0.7359 (4)	0.3872 (3)	0.0570 (14)
C2G	0.52925 (17)	0.6677 (4)	0.4332 (4)	0.0786 (19)
H2G	0.5485	0.6451	0.4642	0.094*
C3G	0.4947 (2)	0.6340 (5)	0.4326 (5)	0.098 (2)
H3G	0.4906	0.5882	0.4627	0.117*
C4G	0.4662 (2)	0.6684 (7)	0.3874 (5)	0.118 (3)
H4G	0.4429	0.6444	0.3859	0.142*
C5G	0.4717 (2)	0.7367 (8)	0.3452 (5)	0.137 (4)
H5G	0.4521	0.7608	0.3161	0.165*
C6G	0.50609 (17)	0.7709 (5)	0.3450 (4)	0.091 (2)
H6G	0.5095	0.8182	0.3160	0.109*
C1H	0.60854 (14)	0.6990 (4)	0.3479 (3)	0.0562 (14)
C2H	0.61795 (16)	0.6244 (4)	0.3857 (3)	0.0650 (16)
H2H	0.6109	0.6168	0.4318	0.078*
C3H	0.63773 (18)	0.5609 (5)	0.3557 (4)	0.085 (2)
H3H	0.6441	0.5111	0.3817	0.102*
C4H	0.64793 (19)	0.5714 (5)	0.2875 (5)	0.094 (2)
H4H	0.6611	0.5284	0.2673	0.113*
C5H	0.6388 (2)	0.6444 (6)	0.2491 (4)	0.103 (3)
H5H	0.6459	0.6513	0.2030	0.123*
C6H	0.61921 (17)	0.7081 (4)	0.2790 (4)	0.0772 (18)
H6H	0.6130	0.7579	0.2527	0.093*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0474 (4)	0.0449 (4)	0.0516 (4)	−0.0004 (3)	0.0067 (3)	0.0002 (3)
S1	0.0503 (8)	0.0486 (8)	0.0814 (11)	0.0038 (6)	0.0073 (7)	−0.0078 (7)
O1	0.065 (3)	0.061 (3)	0.090 (3)	0.011 (2)	−0.011 (2)	0.007 (2)
P1	0.0458 (8)	0.0484 (8)	0.0650 (9)	−0.0004 (6)	0.0123 (7)	−0.0036 (7)
P2	0.0568 (9)	0.0659 (9)	0.0484 (8)	−0.0097 (7)	0.0019 (7)	0.0010 (7)
P3	0.0439 (7)	0.0448 (7)	0.0500 (8)	−0.0016 (6)	0.0059 (6)	0.0010 (6)
P4	0.0528 (8)	0.0530 (8)	0.0513 (8)	0.0006 (7)	0.0017 (6)	0.0017 (7)
S2	0.0985 (13)	0.0651 (10)	0.0729 (11)	0.0041 (9)	0.0022 (9)	0.0172 (8)
C1	0.062 (4)	0.049 (3)	0.055 (3)	0.000 (3)	0.010 (3)	0.009 (3)
C2	0.069 (4)	0.045 (3)	0.050 (3)	−0.007 (3)	0.015 (3)	0.005 (2)
C3	0.088 (5)	0.060 (4)	0.089 (5)	−0.008 (4)	0.003 (4)	0.004 (4)
C4	0.134 (7)	0.072 (5)	0.090 (6)	−0.033 (5)	0.004 (5)	−0.013 (4)
C5	0.132 (7)	0.065 (5)	0.100 (6)	0.000 (5)	0.031 (6)	−0.017 (4)
C6	0.100 (6)	0.076 (5)	0.109 (6)	0.029 (4)	0.024 (5)	−0.020 (4)
C7	0.068 (4)	0.063 (4)	0.086 (5)	0.010 (3)	0.020 (3)	−0.007 (3)
C8	0.070 (4)	0.073 (4)	0.076 (4)	−0.012 (3)	0.027 (3)	−0.023 (3)
C9	0.076 (4)	0.097 (5)	0.050 (4)	−0.027 (4)	0.018 (3)	−0.007 (3)
C10	0.052 (3)	0.062 (3)	0.058 (3)	−0.001 (3)	0.013 (3)	0.001 (3)
C11	0.050 (3)	0.049 (3)	0.056 (3)	−0.004 (2)	0.012 (2)	0.000 (2)
C1A	0.041 (3)	0.066 (4)	0.063 (4)	0.001 (3)	0.008 (3)	0.004 (3)
C2A	0.071 (4)	0.080 (5)	0.106 (5)	−0.005 (4)	0.040 (4)	−0.003 (4)
C3A	0.079 (5)	0.117 (7)	0.108 (6)	−0.010 (5)	0.044 (4)	0.017 (5)
C4A	0.073 (5)	0.085 (5)	0.122 (6)	−0.008 (4)	0.017 (4)	0.042 (5)
C5A	0.075 (5)	0.073 (5)	0.133 (7)	0.005 (4)	0.033 (5)	0.025 (4)
C6A	0.067 (4)	0.059 (4)	0.092 (5)	0.004 (3)	0.030 (3)	0.013 (3)
C1B	0.054 (3)	0.050 (3)	0.084 (4)	0.007 (3)	0.017 (3)	0.008 (3)
C2B	0.061 (4)	0.078 (4)	0.066 (4)	0.014 (3)	0.017 (3)	0.012 (3)
C3B	0.060 (4)	0.142 (8)	0.082 (5)	0.014 (5)	0.011 (4)	0.025 (5)
C4B	0.080 (6)	0.124 (8)	0.169 (10)	0.037 (6)	0.012 (6)	0.064 (7)
C5B	0.138 (9)	0.099 (7)	0.266 (16)	0.071 (7)	−0.029 (10)	−0.009 (9)
C6B	0.117 (7)	0.083 (6)	0.202 (11)	0.038 (5)	−0.031 (7)	−0.041 (6)
C1C	0.057 (3)	0.077 (4)	0.048 (3)	−0.011 (3)	0.005 (3)	−0.004 (3)
C2C	0.069 (4)	0.077 (4)	0.088 (5)	−0.007 (4)	0.011 (4)	0.004 (4)
C3C	0.076 (5)	0.103 (6)	0.093 (6)	−0.020 (5)	0.012 (4)	0.003 (5)
C4C	0.102 (6)	0.097 (6)	0.114 (7)	−0.047 (5)	0.019 (5)	−0.013 (5)
C5C	0.140 (8)	0.092 (6)	0.156 (8)	−0.055 (6)	0.053 (7)	−0.060 (6)
C6C	0.101 (6)	0.112 (6)	0.110 (6)	−0.043 (5)	0.045 (5)	−0.051 (5)
C1F	0.047 (3)	0.052 (3)	0.064 (4)	−0.008 (3)	0.012 (3)	−0.010 (3)
C2F	0.071 (5)	0.096 (5)	0.121 (6)	−0.006 (4)	0.025 (4)	0.024 (5)
C3F	0.083 (6)	0.139 (8)	0.139 (8)	−0.029 (6)	0.045 (5)	0.020 (6)
C4F	0.055 (4)	0.103 (6)	0.143 (8)	−0.010 (4)	0.028 (5)	−0.021 (6)
C5F	0.054 (4)	0.104 (6)	0.164 (8)	0.011 (4)	0.017 (5)	0.016 (6)
C6F	0.056 (4)	0.088 (5)	0.118 (6)	0.000 (4)	0.018 (4)	0.028 (4)
C1G	0.048 (3)	0.068 (4)	0.056 (3)	0.001 (3)	0.007 (3)	−0.008 (3)
C2G	0.060 (4)	0.073 (4)	0.103 (5)	−0.001 (3)	0.007 (4)	0.000 (4)
C3G	0.073 (5)	0.093 (5)	0.133 (7)	−0.018 (4)	0.029 (5)	−0.002 (5)
C4G	0.053 (5)	0.188 (10)	0.112 (7)	−0.019 (5)	0.003 (5)	−0.005 (7)
C5G	0.066 (5)	0.243 (13)	0.101 (7)	−0.003 (6)	−0.003 (4)	0.044 (8)
C6G	0.058 (4)	0.135 (7)	0.078 (5)	0.006 (4)	−0.002 (3)	0.029 (4)
C1H	0.041 (3)	0.070 (4)	0.057 (3)	−0.006 (3)	0.004 (2)	−0.004 (3)
C2H	0.071 (4)	0.060 (4)	0.065 (4)	0.011 (3)	0.012 (3)	−0.008 (3)
C3H	0.082 (5)	0.076 (5)	0.099 (6)	0.013 (4)	0.016 (4)	−0.011 (4)
C4H	0.075 (5)	0.096 (6)	0.114 (7)	0.015 (4)	0.020 (5)	−0.033 (5)
C5H	0.096 (6)	0.132 (7)	0.087 (6)	0.018 (5)	0.039 (5)	−0.014 (5)
C6H	0.072 (4)	0.088 (5)	0.073 (4)	0.008 (4)	0.019 (3)	0.007 (4)

Geometric parameters (Å, º)

Cu1—P3	2.2927 (15)	C1D—C2D	1.39
Cu1—P1	2.3015 (15)	C1D—C6D	1.39
Cu1—S1	2.3060 (15)	C2D—C3D	1.39
Cu1—P2	2.3419 (16)	C3D—C4D	1.39
S1—C1	1.725 (6)	C4D—C5D	1.39
O1—C1	1.245 (6)	C5D—C6D	1.39
P1—C1B	1.832 (6)	C1DA—C2DA	1.39
P1—C1A	1.837 (6)	C1DA—C6DA	1.39
P1—C8	1.846 (6)	C2DA—C3DA	1.39
P2—C1DA	1.785 (12)	C3DA—C4DA	1.39
P2—C1C	1.828 (6)	C4DA—C5DA	1.39
P2—C1D	1.828 (8)	C5DA—C6DA	1.39
P2—C9	1.858 (6)	C1DB—C2DB	1.39
P2—C1DB	1.888 (7)	C1DB—C6DB	1.39
P3—C1E	1.823 (4)	C2DB—C3DB	1.39
P3—C1F	1.835 (5)	C3DB—C4DB	1.39
P3—C10	1.855 (5)	C4DB—C5DB	1.39
P3—C1EA	1.899 (10)	C5DB—C6DB	1.39
P4—C11	1.818 (5)	C1E—C2E	1.39
P4—C1G	1.819 (5)	C1E—C6E	1.39
P4—C1H	1.827 (6)	C2E—C3E	1.39
P4—S2	1.961 (2)	C3E—C4E	1.39
C1—C2	1.512 (7)	C4E—C5E	1.39
C2—C7	1.380 (8)	C5E—C6E	1.39
C2—C3	1.379 (8)	C1EA—C2EA	1.39
C3—C4	1.406 (9)	C1EA—C6EA	1.39
C4—C5	1.368 (10)	C2EA—C3EA	1.39
C5—C6	1.352 (10)	C3EA—C4EA	1.39
C6—C7	1.381 (9)	C4EA—C5EA	1.39
C8—C9	1.527 (9)	C5EA—C6EA	1.39
C10—C11	1.515 (7)	C1F—C6F	1.365 (8)
C1A—C6A	1.372 (8)	C1F—C2F	1.382 (8)
C1A—C2A	1.390 (8)	C2F—C3F	1.402 (10)
C2A—C3A	1.373 (9)	C3F—C4F	1.358 (11)
C3A—C4A	1.366 (10)	C4F—C5F	1.327 (10)
C4A—C5A	1.360 (10)	C5F—C6F	1.388 (9)
C5A—C6A	1.384 (8)	C1G—C6G	1.375 (8)
C1B—C2B	1.356 (8)	C1G—C2G	1.399 (8)
C1B—C6B	1.395 (9)	C2G—C3G	1.373 (9)
C2B—C3B	1.400 (9)	C3G—C4G	1.378 (11)
C3B—C4B	1.359 (12)	C4G—C5G	1.351 (12)
C4B—C5B	1.356 (14)	C5G—C6G	1.371 (10)
C5B—C6B	1.384 (13)	C1H—C2H	1.381 (8)
C1C—C6C	1.377 (9)	C1H—C6H	1.389 (8)
C1C—C2C	1.383 (8)	C2H—C3H	1.382 (8)
C2C—C3C	1.394 (9)	C3H—C4H	1.373 (10)
C3C—C4C	1.347 (10)	C4H—C5H	1.363 (11)
C4C—C5C	1.338 (11)	C5H—C6H	1.380 (9)
C5C—C6C	1.393 (10)
P3—Cu1—P1	116.88 (5)	C5B—C6B—C1B	119.7 (9)
P3—Cu1—S1	106.04 (6)	C6C—C1C—C2C	116.7 (6)
P1—Cu1—S1	119.85 (6)	C6C—C1C—P2	124.6 (5)
P3—Cu1—P2	114.01 (6)	C2C—C1C—P2	118.5 (5)
P1—Cu1—P2	88.91 (6)	C1C—C2C—C3C	121.2 (7)
S1—Cu1—P2	110.44 (6)	C4C—C3C—C2C	120.0 (7)
C1—S1—Cu1	109.3 (2)	C5C—C4C—C3C	120.4 (8)
C1B—P1—C1A	103.2 (2)	C4C—C5C—C6C	120.4 (8)
C1B—P1—C8	104.6 (3)	C1C—C6C—C5C	121.3 (7)
C1A—P1—C8	102.1 (3)	C2D—C1D—C6D	120.0
C1B—P1—Cu1	122.4 (2)	C2D—C1D—P2	119.9 (7)
C1A—P1—Cu1	119.36 (18)	C6D—C1D—P2	120.1 (7)
C8—P1—Cu1	102.31 (19)	C1D—C2D—C3D	120.0
C1DA—P2—C1C	95.1 (9)	C4D—C3D—C2D	120.0
C1DA—P2—C1D	9.7 (11)	C3D—C4D—C5D	120.0
C1C—P2—C1D	104.0 (5)	C4D—C5D—C6D	120.0
C1DA—P2—C9	96.1 (9)	C5D—C6D—C1D	120.0
C1C—P2—C9	103.6 (3)	C2DA—C1DA—C6DA	120.0
C1D—P2—C9	97.4 (4)	C2DA—C1DA—P2	127.5 (15)
C1DA—P2—C1DB	19.1 (9)	C6DA—C1DA—P2	111.7 (15)
C1C—P2—C1DB	105.2 (4)	C1DA—C2DA—C3DA	120.0
C1D—P2—C1DB	12.2 (6)	C4DA—C3DA—C2DA	120.0
C9—P2—C1DB	108.7 (4)	C3DA—C4DA—C5DA	120.0
C1DA—P2—Cu1	133.4 (9)	C4DA—C5DA—C6DA	120.0
C1C—P2—Cu1	120.92 (19)	C5DA—C6DA—C1DA	120.0
C1D—P2—Cu1	123.9 (4)	C2DB—C1DB—C6DB	120.0
C9—P2—Cu1	102.2 (2)	C2DB—C1DB—P2	124.5 (6)
C1DB—P2—Cu1	115.2 (3)	C6DB—C1DB—P2	115.4 (6)
C1E—P3—C1F	104.6 (3)	C1DB—C2DB—C3DB	120.0
C1E—P3—C10	101.8 (3)	C4DB—C3DB—C2DB	120.0
C1F—P3—C10	97.7 (2)	C3DB—C4DB—C5DB	120.0
C1E—P3—C1EA	7.8 (6)	C6DB—C5DB—C4DB	120.0
C1F—P3—C1EA	103.2 (5)	C5DB—C6DB—C1DB	120.0
C10—P3—C1EA	109.6 (6)	C2E—C1E—C6E	120.0
C1E—P3—Cu1	118.87 (19)	C2E—C1E—P3	125.7 (3)
C1F—P3—Cu1	115.05 (19)	C6E—C1E—P3	114.2 (3)
C10—P3—Cu1	115.96 (18)	C3E—C2E—C1E	120.0
C1EA—P3—Cu1	113.6 (5)	C2E—C3E—C4E	120.0
C11—P4—C1G	104.7 (2)	C3E—C4E—C5E	120.0
C11—P4—C1H	106.6 (2)	C4E—C5E—C6E	120.0
C1G—P4—C1H	106.5 (2)	C5E—C6E—C1E	120.0
C11—P4—S2	112.69 (18)	C2EA—C1EA—C6EA	120.0
C1G—P4—S2	113.3 (2)	C2EA—C1EA—P3	117.8 (9)
C1H—P4—S2	112.4 (2)	C6EA—C1EA—P3	122.1 (9)
O1—C1—C2	118.4 (5)	C3EA—C2EA—C1EA	120.0
O1—C1—S1	124.6 (4)	C4EA—C3EA—C2EA	120.0
C2—C1—S1	117.0 (4)	C5EA—C4EA—C3EA	120.0
C7—C2—C3	117.9 (6)	C4EA—C5EA—C6EA	120.0
C7—C2—C1	123.1 (5)	C5EA—C6EA—C1EA	120.0
C3—C2—C1	118.9 (5)	C6F—C1F—C2F	117.0 (5)
C2—C3—C4	121.2 (7)	C6F—C1F—P3	120.5 (4)
C5—C4—C3	118.9 (7)	C2F—C1F—P3	121.8 (5)
C6—C5—C4	120.2 (7)	C1F—C2F—C3F	120.7 (7)
C5—C6—C7	121.0 (7)	C4F—C3F—C2F	120.2 (8)
C2—C7—C6	120.7 (7)	C5F—C4F—C3F	119.3 (7)
C9—C8—P1	108.6 (4)	C4F—C5F—C6F	121.5 (8)
C8—C9—P2	110.4 (4)	C1F—C6F—C5F	121.2 (7)
C11—C10—P3	113.9 (4)	C6G—C1G—C2G	118.5 (6)
C10—C11—P4	112.1 (4)	C6G—C1G—P4	119.4 (5)
C6A—C1A—C2A	118.1 (6)	C2G—C1G—P4	122.0 (4)
C6A—C1A—P1	119.7 (4)	C3G—C2G—C1G	120.0 (7)
C2A—C1A—P1	122.2 (5)	C2G—C3G—C4G	119.8 (8)
C3A—C2A—C1A	120.1 (7)	C5G—C4G—C3G	120.3 (8)
C4A—C3A—C2A	121.1 (7)	C4G—C5G—C6G	120.5 (8)
C5A—C4A—C3A	119.3 (7)	C5G—C6G—C1G	120.7 (7)
C4A—C5A—C6A	120.2 (7)	C2H—C1H—C6H	118.4 (6)
C1A—C6A—C5A	121.1 (6)	C2H—C1H—P4	121.5 (4)
C2B—C1B—C6B	117.9 (7)	C6H—C1H—P4	120.0 (5)
C2B—C1B—P1	118.3 (4)	C1H—C2H—C3H	120.5 (6)
C6B—C1B—P1	123.7 (6)	C4H—C3H—C2H	120.1 (7)
C1B—C2B—C3B	121.9 (7)	C5H—C4H—C3H	120.4 (7)
C4B—C3B—C2B	119.3 (8)	C4H—C5H—C6H	119.8 (7)
C5B—C4B—C3B	119.7 (8)	C5H—C6H—C1H	120.9 (7)
C4B—C5B—C6B	121.5 (9)
P3—Cu1—S1—C1	−82.9 (2)	C9—P2—C1D—C6D	−82.6 (6)
P1—Cu1—S1—C1	52.1 (2)	C1DB—P2—C1D—C6D	120 (3)
P2—Cu1—S1—C1	153.08 (19)	Cu1—P2—C1D—C6D	167.3 (5)
P3—Cu1—P1—C1B	18.6 (3)	C6D—C1D—C2D—C3D	0.0
S1—Cu1—P1—C1B	−111.8 (2)	P2—C1D—C2D—C3D	179.7 (8)
P2—Cu1—P1—C1B	135.1 (2)	C1D—C2D—C3D—C4D	0.0
P3—Cu1—P1—C1A	150.5 (2)	C2D—C3D—C4D—C5D	0.0
S1—Cu1—P1—C1A	20.1 (2)	C3D—C4D—C5D—C6D	0.0
P2—Cu1—P1—C1A	−93.0 (2)	C4D—C5D—C6D—C1D	0.0
P3—Cu1—P1—C8	−97.8 (2)	C2D—C1D—C6D—C5D	0.0
S1—Cu1—P1—C8	131.8 (2)	P2—C1D—C6D—C5D	−179.7 (8)
P2—Cu1—P1—C8	18.7 (2)	C1C—P2—C1DA—C2DA	49.1 (16)
P3—Cu1—P2—C1DA	−123.2 (13)	C1D—P2—C1DA—C2DA	−154 (7)
P1—Cu1—P2—C1DA	117.7 (13)	C9—P2—C1DA—C2DA	−55.2 (16)
S1—Cu1—P2—C1DA	−3.9 (13)	C1DB—P2—C1DA—C2DA	172 (4)
P3—Cu1—P2—C1C	12.0 (2)	Cu1—P2—C1DA—C2DA	−168.3 (12)
P1—Cu1—P2—C1C	−107.1 (2)	C1C—P2—C1DA—C6DA	−120.6 (13)
S1—Cu1—P2—C1C	131.3 (2)	C1D—P2—C1DA—C6DA	36 (6)
P3—Cu1—P2—C1D	−126.1 (5)	C9—P2—C1DA—C6DA	135.1 (13)
P1—Cu1—P2—C1D	114.8 (5)	C1DB—P2—C1DA—C6DA	2 (2)
S1—Cu1—P2—C1D	−6.8 (5)	Cu1—P2—C1DA—C6DA	22 (2)
P3—Cu1—P2—C9	126.2 (2)	C6DA—C1DA—C2DA—C3DA	0.0
P1—Cu1—P2—C9	7.0 (2)	P2—C1DA—C2DA—C3DA	−169 (2)
S1—Cu1—P2—C9	−114.6 (2)	C1DA—C2DA—C3DA—C4DA	0.0
P3—Cu1—P2—C1DB	−116.2 (4)	C2DA—C3DA—C4DA—C5DA	0.0
P1—Cu1—P2—C1DB	124.6 (4)	C3DA—C4DA—C5DA—C6DA	0.0
S1—Cu1—P2—C1DB	3.0 (4)	C4DA—C5DA—C6DA—C1DA	0.0
P1—Cu1—P3—C1E	34.3 (2)	C2DA—C1DA—C6DA—C5DA	0.0
S1—Cu1—P3—C1E	170.9 (2)	P2—C1DA—C6DA—C5DA	170.5 (19)
P2—Cu1—P3—C1E	−67.4 (2)	C1DA—P2—C1DB—C2DB	−81 (3)
P1—Cu1—P3—C1F	159.41 (19)	C1C—P2—C1DB—C2DB	−20.9 (7)
S1—Cu1—P3—C1F	−64.01 (19)	C1D—P2—C1DB—C2DB	−107 (3)
P2—Cu1—P3—C1F	57.7 (2)	C9—P2—C1DB—C2DB	−131.3 (6)
P1—Cu1—P3—C10	−87.5 (2)	Cu1—P2—C1DB—C2DB	114.8 (6)
S1—Cu1—P3—C10	49.1 (2)	C1DA—P2—C1DB—C6DB	102 (3)
P2—Cu1—P3—C10	170.83 (19)	C1C—P2—C1DB—C6DB	161.6 (4)
P1—Cu1—P3—C1EA	40.8 (5)	C1D—P2—C1DB—C6DB	75 (3)
S1—Cu1—P3—C1EA	177.4 (5)	C9—P2—C1DB—C6DB	51.2 (6)
P2—Cu1—P3—C1EA	−60.9 (5)	Cu1—P2—C1DB—C6DB	−62.6 (5)
Cu1—S1—C1—O1	−3.3 (5)	C6DB—C1DB—C2DB—C3DB	0.0
Cu1—S1—C1—C2	176.9 (3)	P2—C1DB—C2DB—C3DB	−177.4 (8)
O1—C1—C2—C7	175.9 (5)	C1DB—C2DB—C3DB—C4DB	0.0
S1—C1—C2—C7	−4.3 (7)	C2DB—C3DB—C4DB—C5DB	0.0
O1—C1—C2—C3	−2.8 (8)	C3DB—C4DB—C5DB—C6DB	0.0
S1—C1—C2—C3	177.1 (4)	C4DB—C5DB—C6DB—C1DB	0.0
C7—C2—C3—C4	0.2 (9)	C2DB—C1DB—C6DB—C5DB	0.0
C1—C2—C3—C4	179.0 (6)	P2—C1DB—C6DB—C5DB	177.6 (7)
C2—C3—C4—C5	−1.2 (11)	C1F—P3—C1E—C2E	101.6 (4)
C3—C4—C5—C6	2.1 (12)	C10—P3—C1E—C2E	0.3 (4)
C4—C5—C6—C7	−2.0 (13)	C1EA—P3—C1E—C2E	−177 (4)
C3—C2—C7—C6	−0.1 (9)	Cu1—P3—C1E—C2E	−128.4 (3)
C1—C2—C7—C6	−178.8 (6)	C1F—P3—C1E—C6E	−81.9 (3)
C5—C6—C7—C2	1.0 (11)	C10—P3—C1E—C6E	176.8 (3)
C1B—P1—C8—C9	−176.7 (4)	C1EA—P3—C1E—C6E	−1 (4)
C1A—P1—C8—C9	76.0 (4)	Cu1—P3—C1E—C6E	48.1 (3)
Cu1—P1—C8—C9	−48.1 (4)	C6E—C1E—C2E—C3E	0.0
P1—C8—C9—P2	58.9 (5)	P3—C1E—C2E—C3E	176.3 (5)
C1DA—P2—C9—C8	−175.9 (10)	C1E—C2E—C3E—C4E	0.0
C1C—P2—C9—C8	87.3 (5)	C2E—C3E—C4E—C5E	0.0
C1D—P2—C9—C8	−166.2 (6)	C3E—C4E—C5E—C6E	0.0
C1DB—P2—C9—C8	−161.2 (5)	C4E—C5E—C6E—C1E	0.0
Cu1—P2—C9—C8	−39.0 (5)	C2E—C1E—C6E—C5E	0.0
C1E—P3—C10—C11	−77.9 (4)	P3—C1E—C6E—C5E	−176.7 (4)
C1F—P3—C10—C11	175.4 (4)	C1E—P3—C1EA—C2EA	−127 (5)
C1EA—P3—C10—C11	−77.6 (7)	C1F—P3—C1EA—C2EA	−26.2 (9)
Cu1—P3—C10—C11	52.6 (4)	C10—P3—C1EA—C2EA	−129.5 (8)
P3—C10—C11—P4	165.4 (3)	Cu1—P3—C1EA—C2EA	99.0 (8)
C1G—P4—C11—C10	170.1 (4)	C1E—P3—C1EA—C6EA	57 (4)
C1H—P4—C11—C10	57.5 (4)	C1F—P3—C1EA—C6EA	158.3 (8)
S2—P4—C11—C10	−66.3 (4)	C10—P3—C1EA—C6EA	55.0 (10)
C1B—P1—C1A—C6A	120.7 (5)	Cu1—P3—C1EA—C6EA	−76.4 (10)
C8—P1—C1A—C6A	−130.9 (5)	C6EA—C1EA—C2EA—C3EA	0.0
Cu1—P1—C1A—C6A	−19.1 (6)	P3—C1EA—C2EA—C3EA	−175.5 (12)
C1B—P1—C1A—C2A	−60.9 (6)	C1EA—C2EA—C3EA—C4EA	0.0
C8—P1—C1A—C2A	47.5 (6)	C2EA—C3EA—C4EA—C5EA	0.0
Cu1—P1—C1A—C2A	159.3 (5)	C3EA—C4EA—C5EA—C6EA	0.0
C6A—C1A—C2A—C3A	−1.2 (10)	C4EA—C5EA—C6EA—C1EA	0.0
P1—C1A—C2A—C3A	−179.6 (6)	C2EA—C1EA—C6EA—C5EA	0.0
C1A—C2A—C3A—C4A	0.4 (12)	P3—C1EA—C6EA—C5EA	175.3 (13)
C2A—C3A—C4A—C5A	0.3 (12)	C1E—P3—C1F—C6F	146.8 (5)
C3A—C4A—C5A—C6A	−0.3 (12)	C10—P3—C1F—C6F	−108.9 (5)
C2A—C1A—C6A—C5A	1.2 (10)	C1EA—P3—C1F—C6F	138.8 (7)
P1—C1A—C6A—C5A	179.7 (5)	Cu1—P3—C1F—C6F	14.5 (6)
C4A—C5A—C6A—C1A	−0.5 (11)	C1E—P3—C1F—C2F	−42.6 (6)
C1A—P1—C1B—C2B	−72.9 (5)	C10—P3—C1F—C2F	61.8 (6)
C8—P1—C1B—C2B	−179.5 (5)	C1EA—P3—C1F—C2F	−50.5 (8)
Cu1—P1—C1B—C2B	65.3 (5)	Cu1—P3—C1F—C2F	−174.8 (5)
C1A—P1—C1B—C6B	109.8 (7)	C6F—C1F—C2F—C3F	−3.3 (11)
C8—P1—C1B—C6B	3.3 (8)	P3—C1F—C2F—C3F	−174.3 (6)
Cu1—P1—C1B—C6B	−112.0 (7)	C1F—C2F—C3F—C4F	0.3 (13)
C6B—C1B—C2B—C3B	−0.2 (10)	C2F—C3F—C4F—C5F	2.6 (14)
P1—C1B—C2B—C3B	−177.6 (5)	C3F—C4F—C5F—C6F	−2.5 (14)
C1B—C2B—C3B—C4B	1.2 (11)	C2F—C1F—C6F—C5F	3.5 (11)
C2B—C3B—C4B—C5B	−1.9 (14)	P3—C1F—C6F—C5F	174.6 (6)
C3B—C4B—C5B—C6B	1.8 (19)	C4F—C5F—C6F—C1F	−0.6 (13)
C4B—C5B—C6B—C1B	−0.8 (19)	C11—P4—C1G—C6G	131.4 (5)
C2B—C1B—C6B—C5B	0.0 (14)	C1H—P4—C1G—C6G	−115.9 (5)
P1—C1B—C6B—C5B	177.3 (9)	S2—P4—C1G—C6G	8.2 (6)
C1DA—P2—C1C—C6C	−113.7 (11)	C11—P4—C1G—C2G	−46.0 (6)
C1D—P2—C1C—C6C	−117.6 (7)	C1H—P4—C1G—C2G	66.7 (5)
C9—P2—C1C—C6C	−16.2 (7)	S2—P4—C1G—C2G	−169.2 (5)
C1DB—P2—C1C—C6C	−130.2 (7)	C6G—C1G—C2G—C3G	3.6 (10)
Cu1—P2—C1C—C6C	97.3 (6)	P4—C1G—C2G—C3G	−179.0 (5)
C1DA—P2—C1C—C2C	72.1 (10)	C1G—C2G—C3G—C4G	−0.9 (11)
C1D—P2—C1C—C2C	68.2 (6)	C2G—C3G—C4G—C5G	−2.1 (14)
C9—P2—C1C—C2C	169.6 (5)	C3G—C4G—C5G—C6G	2.3 (16)
C1DB—P2—C1C—C2C	55.6 (6)	C4G—C5G—C6G—C1G	0.5 (15)
Cu1—P2—C1C—C2C	−76.9 (5)	C2G—C1G—C6G—C5G	−3.4 (11)
C6C—C1C—C2C—C3C	3.7 (10)	P4—C1G—C6G—C5G	179.2 (7)
P2—C1C—C2C—C3C	178.4 (5)	C11—P4—C1H—C2H	44.2 (5)
C1C—C2C—C3C—C4C	−3.8 (11)	C1G—P4—C1H—C2H	−67.2 (5)
C2C—C3C—C4C—C5C	0.8 (13)	S2—P4—C1H—C2H	168.1 (4)
C3C—C4C—C5C—C6C	1.9 (15)	C11—P4—C1H—C6H	−139.0 (5)
C2C—C1C—C6C—C5C	−1.0 (11)	C1G—P4—C1H—C6H	109.6 (5)
P2—C1C—C6C—C5C	−175.2 (7)	S2—P4—C1H—C6H	−15.0 (5)
C4C—C5C—C6C—C1C	−1.9 (14)	C6H—C1H—C2H—C3H	0.5 (9)
C1DA—P2—C1D—C2D	−180 (100)	P4—C1H—C2H—C3H	177.3 (5)
C1C—P2—C1D—C2D	−156.2 (6)	C1H—C2H—C3H—C4H	−0.5 (10)
C9—P2—C1D—C2D	97.8 (7)	C2H—C3H—C4H—C5H	0.4 (11)
C1DB—P2—C1D—C2D	−59 (3)	C3H—C4H—C5H—C6H	−0.1 (12)
Cu1—P2—C1D—C2D	−12.4 (8)	C4H—C5H—C6H—C1H	0.0 (12)
C1DA—P2—C1D—C6D	0 (6)	C2H—C1H—C6H—C5H	−0.2 (10)
C1C—P2—C1D—C6D	23.5 (7)	P4—C1H—C6H—C5H	−177.1 (6)