{μ-9,10-Bis­[(n-propyl­amino)­methyl]­anthracene-κ2N:N′}bis{bis­[6-chloro-2-(di­phenyl­phosphino)­pyridine-κP]copper(I)} diperchlorate

Xu, F.-B.; Xu, H.; Leng, X.-B.; Song, H.-B.; Li, Q.-S.; Zou, R.-Y.; Zhang, Z.-Z.

doi:10.1107/S1600536803022104

{μ-9,10-Bis[(n-propylamino)methyl]anthracene-κ²N:N′}bis{bis[6-chloro-2-(diphenylphosphino)pyridine-κP]copper(I)} diperchlorate

F.-B. Xu, H. Xu, X.-B. Leng, H.-B. Song, Q.-S. Li, R.-Y. Zou and Z.-Z. Zhang

The title compound, [Cu₂(C₁₅H₁₃ClP)₄(C₃₀H₂₈N₂)](ClO₄)₂, was synthesized by the reaction of 9,10-bis[(n-propylamino)methyl]anthracene and 6-chloro-2-(diphenylphosphino)pyridine with [Cu(CH₃CN)₄]ClO₄. The Cu atoms adopt a trigonal–planar geometry and the cation is centrosymmetric. Three-layer π–π stacking interactions are observed between the anthracene and pyridyl rings.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803022104/ww6114sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803022104/ww6114Isup2.hkl Contains datablock I

CCDC reference: 226664

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.009 Å
H-atom completeness 96%
Disorder in solvent or counterion
R factor = 0.059
wR factor = 0.136
Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  O8     ..  C73'     =       2.76 Ang.

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         48 Perc.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.28
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.67 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.64 Ratio
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C33
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C43
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C63
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C15
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C31
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C45
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C51
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C61
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C72
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl3
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl4
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      46.00 Perc.
PLAT331_ALERT_2_C Small Av. Phenyl C-C Dist. C61    -   C66      =       1.37 Ang.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1     ...          ?

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C90 H80 Cl6 Cu2 N6 O8 P4
            Atom count from the _atom_site data:  C90 H76 Cl6 Cu2 N6 O8 P4
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  C90 H80 Cl6 Cu2 N6 O8 P4
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        180.00    180.00    0.00
           H        160.00    152.00    8.00
           Cl        12.00     12.00    0.00
           Cu         4.00      4.00    0.00
           N         12.00     12.00    0.00
           O         16.00     16.00    0.00
           P          8.00      8.00    0.00

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  24 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  15 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SHELXTL (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

[(µ-9,10-bis(N-(n-propyl)aminomethyl)anthracene) tetra(2-(diphenyl phosphino)-6-chloro pyridine) dicopper(I)] diperchlorate top

Crystal data top

[Cu₂(C₁₅H₁₃ClP)₄(C₃₀H₂₈N₂)](ClO₄)₂	F(000) = 1892.0
M_r = 1837.28	D_x = 1.376 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 873 reflections
a = 13.507 (3) Å	θ = 2.5–23.5°
b = 18.359 (4) Å	µ = 0.79 mm⁻¹
c = 17.968 (4) Å	T = 298 K
β = 95.409 (5)°	Block, colourless
V = 4435.7 (15) Å³	0.35 × 0.25 × 0.20 mm
Z = 2

Data collection top

Bruker SMART CCD area-detector diffractometer	7801 independent reflections
Radiation source: fine-focus sealed tube	3755 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.084
φ and ω scans	θ_max = 25.0°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −16→14
T_min = 0.797, T_max = 0.858	k = −21→20
18343 measured reflections	l = −18→21

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.059	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.136	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ²(F_o²) + (0.0451P)²] where P = (F_o² + 2F_c²)/3
7801 reflections	(Δ/σ)_max = 0.002
578 parameters	Δρ_max = 0.73 e Å⁻³
44 restraints	Δρ_min = −0.32 e Å⁻³

Special details top

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 > 2σ(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 (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Cu1	0.56194 (4)	0.10326 (3)	0.79291 (3)	0.0551 (2)
P1	0.54495 (10)	0.06136 (7)	0.67462 (7)	0.0537 (4)
P2	0.47531 (11)	0.19685 (7)	0.83627 (7)	0.0594 (4)
N1	0.6770 (3)	0.0631 (3)	0.8640 (2)	0.0572 (12)
C1	0.6602 (4)	−0.0072 (3)	0.9010 (3)	0.0638 (14)
H1A	0.7209	−0.0218	0.9303	0.077*
H1B	0.6444	−0.0442	0.8631	0.077*
C2	0.5766 (4)	−0.0028 (2)	0.9513 (3)	0.0539 (13)
C3	0.4797 (4)	−0.0232 (2)	0.9256 (3)	0.0535 (13)
C4	0.4539 (4)	−0.0459 (3)	0.8501 (3)	0.0653 (14)
H4A	0.5030	−0.0470	0.8171	0.078*
C5	0.3603 (5)	−0.0657 (3)	0.8253 (3)	0.0775 (16)
H5A	0.3458	−0.0799	0.7758	0.093*
C6	0.2841 (4)	−0.0649 (3)	0.8743 (3)	0.0788 (17)
H6A	0.2197	−0.0787	0.8572	0.095*
C7	0.3057 (4)	−0.0440 (3)	0.9463 (3)	0.0701 (15)
H7A	0.2554	−0.0445	0.9783	0.084*
C8	0.4017 (4)	−0.0214 (3)	0.9744 (3)	0.0540 (13)
N2	0.6283 (3)	−0.0659 (2)	0.7091 (2)	0.0689 (12)
C11	0.6246 (4)	−0.0148 (3)	0.6550 (3)	0.0574 (13)
C12	0.6784 (4)	−0.0221 (3)	0.5946 (3)	0.0728 (16)
H12A	0.6764	0.0143	0.5585	0.087*
C13	0.7358 (4)	−0.0833 (4)	0.5874 (4)	0.0879 (19)
H13A	0.7724	−0.0886	0.5464	0.105*
C14	0.7380 (4)	−0.1354 (4)	0.6403 (4)	0.093 (2)
H14A	0.7755	−0.1776	0.6371	0.111*
C15	0.6821 (5)	−0.1231 (3)	0.6994 (3)	0.0858 (18)
Cl1	0.6853 (2)	−0.18756 (11)	0.77109 (12)	0.1707 (11)
C21	0.4220 (4)	0.0264 (3)	0.6484 (3)	0.0566 (13)
C22	0.3405 (4)	0.0677 (4)	0.6658 (3)	0.0871 (18)
H22A	0.3518	0.1121	0.6900	0.104*
C23	0.2454 (5)	0.0451 (5)	0.6485 (4)	0.109 (2)
H23A	0.1927	0.0746	0.6594	0.130*
C24	0.2273 (5)	−0.0213 (5)	0.6149 (4)	0.101 (2)
H24A	0.1623	−0.0376	0.6041	0.121*
C25	0.3053 (6)	−0.0634 (4)	0.5976 (3)	0.0890 (18)
H25A	0.2933	−0.1084	0.5747	0.107*
C26	0.4022 (4)	−0.0393 (3)	0.6141 (3)	0.0707 (15)
H26A	0.4547	−0.0682	0.6015	0.085*
C31	0.5662 (4)	0.1281 (3)	0.6037 (3)	0.0578 (13)
C32	0.6545 (5)	0.1647 (4)	0.6102 (3)	0.107 (2)
H32A	0.7037	0.1515	0.6475	0.128*
C33	0.6725 (7)	0.2226 (5)	0.5609 (4)	0.130 (3)
H33A	0.7331	0.2470	0.5656	0.155*
C35	0.5148 (6)	0.2033 (4)	0.4982 (4)	0.105 (2)
H35A	0.4668	0.2151	0.4596	0.126*
C36	0.4969 (5)	0.1465 (3)	0.5454 (3)	0.0815 (17)
H36A	0.4378	0.1204	0.5378	0.098*
C34	0.5998 (8)	0.2421 (4)	0.5064 (5)	0.118 (3)
H34A	0.6089	0.2816	0.4754	0.142*
N3	0.6092 (4)	0.2210 (2)	0.9513 (2)	0.0709 (12)
C41	0.5115 (5)	0.2125 (3)	0.9359 (3)	0.0615 (14)
C42	0.4481 (5)	0.2115 (4)	0.9903 (3)	0.100 (2)
H42A	0.3803	0.2042	0.9788	0.120*
C43	0.4880 (8)	0.2219 (5)	1.0639 (4)	0.130 (3)
H43A	0.4462	0.2210	1.1022	0.156*
C44	0.5859 (7)	0.2331 (4)	1.0804 (4)	0.111 (2)
H44A	0.6135	0.2406	1.1292	0.133*
C45	0.6416 (5)	0.2328 (3)	1.0223 (4)	0.0859 (18)
Cl2	0.76821 (15)	0.24629 (12)	1.04098 (11)	0.1391 (8)
C51	0.3410 (4)	0.1923 (3)	0.8296 (3)	0.0607 (14)
C52	0.2954 (5)	0.1288 (3)	0.8480 (4)	0.094 (2)
H52A	0.3347	0.0889	0.8629	0.113*
C53	0.1948 (6)	0.1223 (4)	0.8450 (4)	0.109 (2)
H53A	0.1665	0.0791	0.8598	0.131*
C54	0.1362 (6)	0.1779 (5)	0.8207 (4)	0.112 (2)
H54A	0.0675	0.1726	0.8171	0.134*
C55	0.1769 (5)	0.2422 (5)	0.8012 (4)	0.110 (2)
H55A	0.1360	0.2809	0.7851	0.131*
C56	0.2796 (5)	0.2498 (3)	0.8056 (3)	0.0901 (18)
H56A	0.3073	0.2938	0.7923	0.108*
C61	0.4980 (4)	0.2846 (3)	0.7934 (3)	0.0595 (13)
C62	0.5032 (5)	0.2860 (3)	0.7168 (3)	0.0907 (19)
H62A	0.5020	0.2425	0.6901	0.109*
C63	0.5102 (6)	0.3508 (4)	0.6801 (4)	0.117 (3)
H63A	0.5128	0.3513	0.6286	0.141*
C64	0.5133 (5)	0.4140 (3)	0.7184 (4)	0.095 (2)
H64A	0.5178	0.4580	0.6933	0.115*
C65	0.5099 (5)	0.4135 (3)	0.7942 (4)	0.0919 (19)
H65A	0.5127	0.4572	0.8204	0.110*
C66	0.5022 (4)	0.3492 (3)	0.8316 (3)	0.0758 (16)
H66A	0.4999	0.3494	0.8832	0.091*
C71	0.7703 (4)	0.0595 (3)	0.8269 (3)	0.0778 (16)
H71A	0.8223	0.0385	0.8613	0.093*
H71B	0.7604	0.0275	0.7838	0.093*
C72	0.8031 (5)	0.1315 (4)	0.8024 (4)	0.103 (2)
C73	0.8536 (12)	0.1667 (8)	0.8737 (10)	0.143 (6)	0.50
H73A	0.8759	0.2147	0.8624	0.215*	0.50
H73B	0.9095	0.1376	0.8926	0.215*	0.50
H73C	0.8070	0.1697	0.9107	0.215*	0.50
C73'	0.8841 (9)	0.1223 (8)	0.7521 (9)	0.139 (6)	0.50
H73D	0.8570	0.1018	0.7054	0.209*	0.50
H73E	0.9342	0.0903	0.7752	0.209*	0.50
H73F	0.9132	0.1689	0.7433	0.209*	0.50
Cl3	0.5000	0.5000	0.5000	0.208 (3)
O4	0.522 (2)	0.5655 (10)	0.532 (2)	0.37 (2)	0.50
O1	0.4203 (7)	0.4627 (15)	0.5204 (16)	0.292 (14)	0.50
O2	0.5167 (16)	0.4938 (15)	0.4253 (7)	0.215 (9)	0.50
O3	0.5889 (6)	0.4501 (6)	0.5330 (5)	0.135 (4)	0.50
Cl4	0.9644 (3)	0.0733 (2)	0.5520 (2)	0.0972 (11)	0.50
O5	0.9440 (8)	−0.0040 (5)	0.5479 (5)	0.156 (4)	0.50
O6	0.8770 (5)	0.1194 (4)	0.5304 (5)	0.108 (3)	0.50
O7	1.0453 (8)	0.0885 (6)	0.5054 (6)	0.178 (5)	0.50
O8	0.9988 (5)	0.0971 (4)	0.6356 (5)	0.150 (5)	0.50
H1	0.677 (3)	0.093 (2)	0.897 (3)	0.059 (17)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu1	0.0666 (4)	0.0596 (4)	0.0392 (3)	−0.0010 (3)	0.0054 (3)	0.0008 (3)
P1	0.0624 (8)	0.0606 (8)	0.0378 (7)	0.0045 (7)	0.0035 (7)	−0.0016 (6)
P2	0.0788 (10)	0.0577 (9)	0.0422 (8)	0.0007 (7)	0.0082 (7)	−0.0001 (6)
N1	0.058 (3)	0.069 (3)	0.044 (3)	−0.010 (2)	0.007 (2)	0.000 (3)
C1	0.072 (4)	0.071 (4)	0.050 (3)	0.004 (3)	0.013 (3)	0.008 (3)
C2	0.066 (4)	0.053 (3)	0.042 (3)	−0.001 (3)	0.003 (3)	0.012 (2)
C3	0.065 (3)	0.050 (3)	0.045 (3)	−0.004 (3)	0.002 (3)	0.008 (2)
C4	0.076 (4)	0.071 (4)	0.048 (3)	−0.007 (3)	0.001 (3)	0.007 (3)
C5	0.107 (5)	0.079 (4)	0.043 (3)	−0.018 (4)	−0.010 (4)	−0.001 (3)
C6	0.082 (4)	0.085 (4)	0.066 (4)	−0.022 (3)	−0.012 (4)	0.014 (3)
C7	0.081 (4)	0.081 (4)	0.049 (4)	−0.010 (3)	0.005 (3)	0.010 (3)
C8	0.058 (3)	0.059 (3)	0.045 (3)	−0.002 (3)	0.002 (3)	0.015 (2)
N2	0.090 (3)	0.064 (3)	0.054 (3)	0.018 (3)	0.014 (2)	0.000 (2)
C11	0.061 (3)	0.066 (3)	0.045 (3)	0.000 (3)	0.002 (3)	−0.002 (3)
C12	0.085 (4)	0.080 (4)	0.056 (4)	0.011 (3)	0.018 (3)	0.001 (3)
C13	0.090 (5)	0.099 (5)	0.080 (5)	0.012 (4)	0.034 (4)	−0.012 (4)
C14	0.089 (5)	0.090 (5)	0.100 (5)	0.027 (4)	0.010 (4)	−0.023 (4)
C15	0.115 (5)	0.074 (4)	0.067 (4)	0.021 (4)	0.005 (4)	0.001 (3)
Cl1	0.290 (3)	0.1068 (15)	0.1247 (18)	0.0962 (17)	0.0704 (19)	0.0408 (13)
C21	0.062 (3)	0.070 (4)	0.037 (3)	−0.002 (3)	0.007 (3)	−0.003 (3)
C22	0.064 (4)	0.111 (5)	0.085 (5)	0.002 (4)	0.000 (4)	−0.023 (4)
C23	0.066 (5)	0.147 (7)	0.111 (6)	0.008 (4)	0.001 (4)	−0.026 (5)
C24	0.066 (5)	0.153 (7)	0.082 (5)	−0.027 (5)	0.004 (4)	−0.007 (5)
C25	0.098 (5)	0.101 (5)	0.066 (4)	−0.031 (4)	−0.002 (4)	−0.014 (4)
C26	0.074 (4)	0.079 (4)	0.059 (4)	−0.004 (3)	0.005 (3)	−0.007 (3)
C31	0.072 (4)	0.063 (3)	0.039 (3)	0.001 (3)	0.006 (3)	0.000 (2)
C32	0.122 (6)	0.145 (6)	0.053 (4)	−0.041 (5)	0.001 (4)	0.024 (4)
C33	0.157 (7)	0.152 (7)	0.081 (6)	−0.070 (6)	0.016 (6)	0.010 (5)
C35	0.128 (6)	0.114 (6)	0.074 (5)	0.030 (5)	0.008 (5)	0.038 (4)
C36	0.095 (4)	0.086 (4)	0.063 (4)	0.010 (3)	0.004 (4)	0.017 (3)
C34	0.176 (9)	0.104 (6)	0.080 (6)	−0.010 (6)	0.038 (6)	0.024 (5)
N3	0.095 (4)	0.071 (3)	0.045 (3)	−0.011 (3)	−0.002 (3)	0.004 (2)
C41	0.076 (4)	0.066 (4)	0.043 (3)	0.001 (3)	0.008 (3)	0.000 (2)
C42	0.101 (5)	0.146 (6)	0.054 (4)	0.015 (4)	0.019 (4)	0.001 (4)
C43	0.155 (8)	0.195 (9)	0.043 (5)	0.023 (7)	0.030 (5)	0.003 (5)
C44	0.148 (7)	0.133 (6)	0.051 (5)	0.000 (6)	0.003 (5)	−0.005 (4)
C45	0.114 (5)	0.077 (4)	0.063 (4)	−0.015 (4)	−0.010 (4)	0.009 (3)
Cl2	0.1477 (17)	0.1631 (18)	0.0970 (15)	−0.0625 (14)	−0.0392 (13)	0.0204 (13)
C51	0.074 (4)	0.054 (3)	0.055 (3)	0.005 (3)	0.016 (3)	−0.002 (3)
C52	0.081 (5)	0.073 (5)	0.132 (6)	0.000 (4)	0.028 (4)	0.009 (4)
C53	0.099 (6)	0.084 (5)	0.149 (7)	−0.013 (5)	0.036 (5)	0.000 (5)
C54	0.091 (6)	0.123 (7)	0.122 (7)	−0.014 (6)	0.014 (5)	−0.014 (5)
C55	0.074 (5)	0.122 (7)	0.131 (7)	0.020 (5)	0.001 (4)	0.009 (5)
C56	0.090 (5)	0.083 (5)	0.098 (5)	0.005 (4)	0.012 (4)	0.007 (4)
C61	0.080 (4)	0.051 (3)	0.048 (3)	0.002 (3)	0.010 (3)	0.000 (3)
C62	0.156 (6)	0.065 (4)	0.055 (4)	−0.002 (4)	0.029 (4)	0.000 (3)
C63	0.205 (8)	0.077 (5)	0.076 (5)	0.007 (5)	0.050 (5)	0.020 (4)
C64	0.119 (5)	0.070 (5)	0.100 (6)	0.000 (4)	0.025 (5)	0.021 (4)
C65	0.128 (5)	0.057 (4)	0.089 (5)	−0.007 (3)	0.004 (4)	−0.003 (4)
C66	0.111 (5)	0.060 (4)	0.057 (4)	0.001 (3)	0.013 (3)	−0.006 (3)
C71	0.059 (4)	0.107 (5)	0.067 (4)	−0.006 (3)	0.002 (3)	0.012 (3)
C72	0.104 (5)	0.111 (5)	0.094 (5)	−0.042 (4)	0.017 (4)	0.011 (4)
C73	0.164 (15)	0.124 (13)	0.148 (16)	−0.025 (11)	0.045 (13)	−0.037 (11)
C73'	0.067 (8)	0.185 (15)	0.171 (15)	−0.014 (9)	0.036 (10)	0.075 (12)
Cl3	0.143 (4)	0.393 (10)	0.083 (3)	−0.078 (6)	−0.022 (3)	0.079 (4)
O4	0.23 (3)	0.51 (5)	0.35 (5)	0.18 (4)	−0.07 (3)	0.08 (4)
O1	0.059 (8)	0.58 (4)	0.24 (2)	−0.048 (15)	0.042 (12)	0.18 (2)
O2	0.165 (15)	0.35 (3)	0.127 (13)	0.034 (15)	0.016 (11)	0.121 (15)
O3	0.094 (7)	0.208 (11)	0.095 (7)	−0.029 (7)	−0.038 (6)	0.044 (7)
Cl4	0.098 (3)	0.110 (3)	0.077 (2)	−0.018 (2)	−0.020 (2)	0.026 (2)
O5	0.204 (11)	0.134 (10)	0.121 (9)	−0.053 (9)	−0.034 (7)	0.028 (7)
O6	0.074 (5)	0.100 (6)	0.133 (8)	−0.014 (5)	−0.071 (5)	−0.024 (5)
O7	0.167 (10)	0.198 (13)	0.178 (12)	0.022 (9)	0.060 (9)	0.085 (10)
O8	0.086 (6)	0.108 (7)	0.244 (13)	−0.020 (5)	−0.041 (7)	0.131 (8)

Geometric parameters (Å, º) top

Cu1—N1	2.053 (4)	C34—H34A	0.9300
Cu1—P1	2.2517 (14)	N3—C45	1.326 (7)
Cu1—P2	2.2583 (15)	N3—C41	1.332 (6)
P1—C21	1.801 (5)	C41—C42	1.359 (7)
P1—C31	1.810 (5)	C42—C43	1.392 (9)
P1—C11	1.818 (5)	C42—H42A	0.9300
P2—C51	1.809 (5)	C43—C44	1.343 (9)
P2—C61	1.823 (5)	C43—H43A	0.9300
P2—C41	1.834 (5)	C44—C45	1.343 (8)
N1—C1	1.480 (6)	C44—H44A	0.9300
N1—C71	1.481 (6)	C45—Cl2	1.729 (7)
N1—H1	0.80 (4)	C51—C52	1.372 (7)
C1—C2	1.514 (6)	C51—C56	1.387 (7)
C1—H1A	0.9700	C52—C53	1.361 (8)
C1—H1B	0.9700	C52—H52A	0.9300
C2—C3	1.397 (6)	C53—C54	1.340 (9)
C2—C8ⁱ	1.412 (6)	C53—H53A	0.9300
C3—C4	1.431 (6)	C54—C55	1.361 (9)
C3—C8	1.432 (6)	C54—H54A	0.9300
C4—C5	1.350 (7)	C55—C56	1.389 (8)
C4—H4A	0.9300	C55—H55A	0.9300
C5—C6	1.417 (7)	C56—H56A	0.9300
C5—H5A	0.9300	C61—C66	1.370 (6)
C6—C7	1.354 (7)	C61—C62	1.386 (6)
C6—H6A	0.9300	C62—C63	1.368 (7)
C7—C8	1.409 (6)	C62—H62A	0.9300
C7—H7A	0.9300	C63—C64	1.348 (8)
C8—C2ⁱ	1.412 (6)	C63—H63A	0.9300
N2—C15	1.299 (6)	C64—C65	1.365 (8)
N2—C11	1.348 (6)	C64—H64A	0.9300
C11—C12	1.369 (6)	C65—C66	1.366 (7)
C12—C13	1.378 (7)	C65—H65A	0.9300
C12—H12A	0.9300	C66—H66A	0.9300
C13—C14	1.347 (8)	C71—C72	1.475 (7)
C13—H13A	0.9300	C71—H71A	0.9700
C14—C15	1.379 (8)	C71—H71B	0.9700
C14—H14A	0.9300	C72—C73'	1.493 (13)
C15—Cl1	1.747 (6)	C72—C73	1.536 (16)
C21—C26	1.369 (6)	C73—H73A	0.9600
C21—C22	1.396 (7)	C73—H73B	0.9600
C22—C23	1.358 (7)	C73—H73C	0.9600
C22—H22A	0.9300	C73'—H73D	0.9600
C23—C24	1.372 (9)	C73'—H73E	0.9600
C23—H23A	0.9300	C73'—H73F	0.9600
C24—C25	1.366 (8)	Cl3—O4	1.352 (13)
C24—H24A	0.9300	Cl3—O4ⁱⁱ	1.352 (13)
C25—C26	1.387 (7)	Cl3—O1	1.354 (10)
C25—H25A	0.9300	Cl3—O2	1.387 (12)
C26—H26A	0.9300	Cl3—O3	1.580 (9)
C31—C32	1.364 (7)	O4—O1ⁱⁱ	1.38 (2)
C31—C36	1.380 (7)	O4—O2ⁱⁱ	1.46 (3)
C32—C33	1.420 (9)	O1—O4ⁱⁱ	1.38 (2)
C32—H32A	0.9300	O1—O2ⁱⁱ	1.47 (2)
C33—C34	1.367 (9)	O2—O4ⁱⁱ	1.46 (3)
C33—H33A	0.9300	O2—O1ⁱⁱ	1.47 (2)
C35—C34	1.348 (9)	Cl4—O5	1.447 (8)
C35—C36	1.379 (8)	Cl4—O7	1.466 (8)
C35—H35A	0.9300	Cl4—O6	1.475 (7)
C36—H36A	0.9300	Cl4—O8	1.591 (9)

N1—Cu1—P1	117.91 (15)	C33—C34—H34A	120.4
N1—Cu1—P2	116.44 (15)	C45—N3—C41	116.7 (5)
P1—Cu1—P2	125.13 (5)	N3—C41—C42	122.1 (5)
C21—P1—C31	105.1 (2)	N3—C41—P2	112.9 (4)
C21—P1—C11	102.9 (2)	C42—C41—P2	124.9 (5)
C31—P1—C11	104.4 (2)	C41—C42—C43	117.9 (6)
C21—P1—Cu1	112.22 (16)	C41—C42—H42A	121.1
C31—P1—Cu1	115.10 (17)	C43—C42—H42A	121.1
C11—P1—Cu1	115.86 (17)	C44—C43—C42	121.0 (7)
C51—P2—C61	102.8 (2)	C44—C43—H43A	119.5
C51—P2—C41	104.2 (3)	C42—C43—H43A	119.5
C61—P2—C41	103.6 (2)	C45—C44—C43	116.1 (7)
C51—P2—Cu1	119.41 (17)	C45—C44—H44A	121.9
C61—P2—Cu1	114.40 (16)	C43—C44—H44A	121.9
C41—P2—Cu1	110.90 (18)	N3—C45—C44	126.1 (6)
C1—N1—C71	109.6 (4)	N3—C45—Cl2	116.2 (5)
C1—N1—Cu1	117.0 (3)	C44—C45—Cl2	117.7 (6)
C71—N1—Cu1	111.3 (3)	C52—C51—C56	116.9 (5)
C1—N1—H1	104 (4)	C52—C51—P2	119.6 (5)
C71—N1—H1	115 (3)	C56—C51—P2	123.5 (4)
Cu1—N1—H1	99 (4)	C53—C52—C51	122.3 (6)
N1—C1—C2	112.1 (4)	C53—C52—H52A	118.8
N1—C1—H1A	109.2	C51—C52—H52A	118.8
C2—C1—H1A	109.2	C54—C53—C52	120.1 (7)
N1—C1—H1B	109.2	C54—C53—H53A	119.9
C2—C1—H1B	109.2	C52—C53—H53A	119.9
H1A—C1—H1B	107.9	C53—C54—C55	120.3 (7)
C3—C2—C8ⁱ	120.1 (4)	C53—C54—H54A	119.8
C3—C2—C1	121.1 (5)	C55—C54—H54A	119.8
C8ⁱ—C2—C1	118.9 (4)	C54—C55—C56	119.9 (7)
C2—C3—C4	121.9 (5)	C54—C55—H55A	120.1
C2—C3—C8	120.8 (4)	C56—C55—H55A	120.1
C4—C3—C8	117.3 (5)	C51—C56—C55	120.4 (6)
C5—C4—C3	121.8 (5)	C51—C56—H56A	119.8
C5—C4—H4A	119.1	C55—C56—H56A	119.8
C3—C4—H4A	119.1	C66—C61—C62	118.6 (5)
C4—C5—C6	120.3 (5)	C66—C61—P2	123.7 (4)
C4—C5—H5A	119.8	C62—C61—P2	117.5 (4)
C6—C5—H5A	119.8	C63—C62—C61	120.4 (5)
C7—C6—C5	119.6 (5)	C63—C62—H62A	119.8
C7—C6—H6A	120.2	C61—C62—H62A	119.8
C5—C6—H6A	120.2	C64—C63—C62	120.3 (6)
C6—C7—C8	122.2 (5)	C64—C63—H63A	119.9
C6—C7—H7A	118.9	C62—C63—H63A	119.9
C8—C7—H7A	118.9	C63—C64—C65	120.0 (6)
C7—C8—C2ⁱ	122.2 (5)	C63—C64—H64A	120.0
C7—C8—C3	118.7 (5)	C65—C64—H64A	120.0
C2ⁱ—C8—C3	119.1 (4)	C64—C65—C66	120.5 (6)
C15—N2—C11	116.7 (4)	C64—C65—H65A	119.7
N2—C11—C12	121.1 (5)	C66—C65—H65A	119.7
N2—C11—P1	112.2 (4)	C65—C66—C61	120.2 (5)
C12—C11—P1	126.7 (4)	C65—C66—H66A	119.9
C11—C12—C13	120.0 (5)	C61—C66—H66A	119.9
C11—C12—H12A	120.0	C72—C71—N1	112.7 (5)
C13—C12—H12A	120.0	C72—C71—H71A	109.0
C14—C13—C12	119.2 (6)	N1—C71—H71A	109.0
C14—C13—H13A	120.4	C72—C71—H71B	109.0
C12—C13—H13A	120.4	N1—C71—H71B	109.0
C13—C14—C15	116.7 (6)	H71A—C71—H71B	107.8
C13—C14—H14A	121.7	C71—C72—C73'	109.7 (8)
C15—C14—H14A	121.7	C71—C72—C73	104.5 (8)
N2—C15—C14	126.2 (6)	C73'—C72—C73	105.0 (9)
N2—C15—Cl1	115.1 (5)	C72—C73—H73A	109.5
C14—C15—Cl1	118.7 (5)	C72—C73—H73B	109.5
C26—C21—C22	117.0 (5)	H73A—C73—H73B	109.5
C26—C21—P1	124.6 (4)	C72—C73—H73C	109.5
C22—C21—P1	118.3 (4)	H73A—C73—H73C	109.5
C23—C22—C21	122.1 (6)	H73B—C73—H73C	109.5
C23—C22—H22A	118.9	C72—C73'—H73D	109.5
C21—C22—H22A	118.9	C72—C73'—H73E	109.5
C22—C23—C24	119.8 (6)	H73D—C73'—H73E	109.5
C22—C23—H23A	120.1	C72—C73'—H73F	109.5
C24—C23—H23A	120.1	H73D—C73'—H73F	109.5
C25—C24—C23	119.6 (6)	H73E—C73'—H73F	109.5
C25—C24—H24A	120.2	O4—Cl3—O4ⁱⁱ	180.0 (7)
C23—C24—H24A	120.2	O4—Cl3—O1	118.7 (11)
C24—C25—C26	120.3 (6)	O4ⁱⁱ—Cl3—O1	61.3 (11)
C24—C25—H25A	119.9	O4—Cl3—O2	115.7 (11)
C26—C25—H25A	119.9	O4ⁱⁱ—Cl3—O2	64.3 (11)
C21—C26—C25	121.1 (5)	O1—Cl3—O2	115.2 (9)
C21—C26—H26A	119.4	O4—Cl3—O3	103.3 (8)
C25—C26—H26A	119.4	O4ⁱⁱ—Cl3—O3	76.7 (8)
C32—C31—C36	118.0 (5)	O1—Cl3—O3	101.6 (8)
C32—C31—P1	118.0 (4)	O2—Cl3—O3	97.4 (7)
C36—C31—P1	124.0 (4)	Cl3—O4—O1ⁱⁱ	59.4 (8)
C31—C32—C33	121.0 (7)	Cl3—O4—O2ⁱⁱ	59.0 (8)
C31—C32—H32A	119.5	O1ⁱⁱ—O4—O2ⁱⁱ	109.4 (14)
C33—C32—H32A	119.5	Cl3—O1—O4ⁱⁱ	59.3 (8)
C34—C33—C32	119.2 (7)	Cl3—O1—O2ⁱⁱ	58.7 (7)
C34—C33—H33A	120.4	O4ⁱⁱ—O1—O2ⁱⁱ	109.0 (12)
C32—C33—H33A	120.4	Cl3—O2—O4ⁱⁱ	56.7 (8)
C34—C35—C36	122.0 (7)	Cl3—O2—O1ⁱⁱ	56.5 (7)
C34—C35—H35A	119.0	O4ⁱⁱ—O2—O1ⁱⁱ	105.5 (12)
C36—C35—H35A	119.0	O5—Cl4—O7	107.9 (6)
C35—C36—C31	120.4 (6)	O5—Cl4—O6	113.9 (5)
C35—C36—H36A	119.8	O7—Cl4—O6	111.2 (5)
C31—C36—H36A	119.8	O5—Cl4—O8	110.8 (5)
C35—C34—C33	119.2 (7)	O7—Cl4—O8	108.6 (6)
C35—C34—H34A	120.4	O6—Cl4—O8	104.3 (5)

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

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{μ-9,10-Bis­[(n-propyl­amino)­methyl]­anthracene-κ2N:N′}bis{bis­[6-chloro-2-(di­phenyl­phosphino)­pyridine-κP]copper(I)} diperchlorate

Supporting information

Key indicators

checkCIF/PLATON results

{μ-9,10-Bis[(n-propylamino)methyl]anthracene-κ²N:N′}bis{bis[6-chloro-2-(diphenylphosphino)pyridine-κP]copper(I)} diperchlorate