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Acta Cryst. (2009). E65, m1358    [ doi:10.1107/S1600536809040896 ]

catena-Poly[[[acetonitrilecopper(I)]-bis[[mu]-bis(diphenylphosphino)methane-[kappa]2P:P']-copper(I)-[mu]-1,2-di-4-pyridylethene] bis(tetrafluoridoborate)]

Y. Wang, X. Gan and C. Jishu

Abstract top

The title dinuclear copper(I) complex, {[Cu2(C2H3N)(C12H10N2)(C25H22P2)2](BF4)2}n, contains 1,2-di-4-pyridylethene, bis(diphenylphosphino)methane and acetonitrile ligands. The two Cu atoms, one with an N2P2 ligand set and the other with an NP2 ligand set, are bridged by two bis(diphenylphosphino)methane ligands, forming an eight-membered ring.

Comment top

The two copper atoms adopt different coordination geometries (Figure 1), one adopting a planar trigonal configuration and the other adopting a distroted tetrahedral geometry by the additional coordination of acetonitrile. The resulting NCu and N2Cu fragments are bridged by bis(diphenylphosphino)methane ligands and form a 1D chain (Fig. 1) furtherly linked together through C-H···π to form 2D network (Fig. 2). Similar compounds were obtained by Fu (Fu et al., 2007, Engelhardt et al., 1985). The average Cu-N and Cu-P distances are 2.082 Å and 2.263 Å, respectively, which are within the range of reference (Fu et al., 2007). And the P-Cu-P angles of 125.82 (9) °, 142.34 (8) ° are larger than 115.85 (9)° (Engelhardt et al., 1985).

Related literature top

For the synthesis and structures of related compounds, see: Engelhardt et al. (1985); Fu et al. (2007).

Experimental top

Under nitrogen atmosphere, a mixture of bis(diphenylphosphino)methane (0.386 g, 1 mmol) and [Cu(CH3CN)4]BF4 (0.315 g, 1 mmol) in dichloromethane (30 mL) was stirred for 2 h at room temperature. Then 1,2-di-4-pyridylethene (0.091 g, 0.5 mmol) was added to the solution with stirring. After stirring the resulting solution for another 12 h, the solvents were removed and the residue was obtained. The pale yellow crystals were obtained by slow diffusion of diethyl ether into a dichloromethane solution of the complex.

Refinement top

All H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93, Uiso(H) = 1.2Ueq(C).

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. One-dimensional chain formed by Cu-N bonds (solid lines).
[Figure 2] Fig. 2. Two-dimensional network formed by connections between the chains through C—H···π interactions.
catena-Poly[[[acetonitrilecopper(I)]-bis[µ- bis(diphenylphosphino)methane-κ2P:P']-copper(I)- µ-1,2-di-4-pyridylethene] bis(tetrafluoridoborate)] top
Crystal data top
[Cu2(C2H3N)(C12H10N2)(C25H22P2)2](BF4)2Z = 2
Mr = 1292.71F(000) = 1324
Triclinic, P1Dx = 1.411 Mg m−3
a = 11.146 (7) ÅMo Kα radiation, λ = 0.71073 Å
b = 14.818 (9) ÅCell parameters from 2198 reflections
c = 18.532 (11) Åθ = 3.2–21.0°
α = 87.368 (10)°µ = 0.87 mm−1
β = 86.963 (11)°T = 298 K
γ = 84.992 (10)°Block, yellow
V = 3042 (3) Å30.19 × 0.17 × 0.13 mm
Data collection top
Bruker SMART
diffractometer		10398 independent reflections
Radiation source: fine-focus sealed tube4625 reflections with I > 2σ(I)
graphiteRint = 0.061
φ and ω scansθmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −13→7
Tmin = 0.852, Tmax = 0.895k = −17→17
15646 measured reflectionsl = −22→21
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.079Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.152H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0373P)2]
where P = (Fo2 + 2Fc2)/3
10398 reflections(Δ/σ)max = 0.001
749 parametersΔρmax = 1.00 e Å−3
39 restraintsΔρmin = −0.44 e Å−3
Crystal data top
[Cu2(C2H3N)(C12H10N2)(C25H22P2)2](BF4)2γ = 84.992 (10)°
Mr = 1292.71V = 3042 (3) Å3
Triclinic, P1Z = 2
a = 11.146 (7) ÅMo Kα radiation
b = 14.818 (9) ŵ = 0.87 mm−1
c = 18.532 (11) ÅT = 298 K
α = 87.368 (10)°0.19 × 0.17 × 0.13 mm
β = 86.963 (11)°
Data collection top
Bruker SMART
diffractometer		10398 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4625 reflections with I > 2σ(I)
Tmin = 0.852, Tmax = 0.895Rint = 0.061
15646 measured reflectionsθmax = 25.0°
Refinement top
R[F2 > 2σ(F2)] = 0.079H-atom parameters constrained
wR(F2) = 0.152Δρmax = 1.00 e Å−3
S = 1.00Δρmin = −0.44 e Å−3
10398 reflectionsAbsolute structure: ?
749 parametersFlack parameter: ?
39 restraintsRogers parameter: ?
Special details top

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. 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 > 2sigma(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
xyzUiso*/Ueq
Cu10.27700 (8)0.57866 (6)0.24838 (5)0.0411 (3)
Cu20.04993 (8)0.81487 (6)0.24358 (5)0.0474 (3)
B10.7566 (10)0.6129 (7)0.2537 (6)0.067 (3)
B20.3676 (15)0.0452 (9)0.2281 (9)0.139 (7)
F10.8510 (5)0.6714 (5)0.2510 (3)0.117 (2)
F20.6789 (5)0.6318 (4)0.3101 (3)0.0938 (17)
F30.6988 (5)0.6232 (4)0.1921 (3)0.1012 (19)
F40.7995 (6)0.5214 (5)0.2598 (4)0.166 (3)
F50.4366 (8)0.0476 (6)0.2825 (5)0.192 (4)
F60.2843 (9)0.1165 (7)0.2408 (6)0.224 (4)
F70.3061 (6)−0.0289 (4)0.2262 (3)0.120 (2)
F80.4247 (10)0.0703 (8)0.1707 (5)0.229 (4)
N10.4004 (6)0.4605 (4)0.2560 (3)0.0439 (16)
N2−0.0458 (6)0.9402 (4)0.2449 (3)0.0474 (16)
N30.3895 (6)0.6814 (4)0.2418 (3)0.0436 (16)
P10.18562 (17)0.56636 (12)0.14230 (10)0.0389 (5)
P20.18580 (17)0.57121 (12)0.36125 (10)0.0402 (5)
P30.06244 (17)0.76465 (12)0.13110 (11)0.0424 (5)
P40.05932 (17)0.76720 (13)0.36037 (11)0.0437 (5)
C10.3610 (8)0.3770 (5)0.2611 (4)0.057 (2)
H10.27790.37350.26390.068*
C20.4310 (9)0.2974 (5)0.2625 (5)0.068 (3)
H20.39650.24230.26600.082*
C30.5518 (10)0.2997 (6)0.2586 (4)0.064 (3)
C40.6005 (7)0.3836 (6)0.2543 (4)0.053 (2)
H40.68350.38720.25250.063*
C50.5201 (7)0.4630 (5)0.2528 (4)0.046 (2)
H50.55180.51910.24940.055*
C6−0.1647 (8)0.9443 (5)0.2425 (4)0.058 (2)
H6−0.20050.89070.23740.070*
C7−0.2378 (7)1.0234 (6)0.2471 (4)0.065 (2)
H7−0.32111.02260.24620.078*
C8−0.1878 (9)1.1032 (6)0.2530 (4)0.059 (2)
C9−0.0659 (8)1.1002 (5)0.2536 (4)0.066 (3)
H9−0.02821.15330.25710.079*
C100.0007 (8)1.0197 (5)0.2491 (4)0.062 (2)
H100.08411.01970.24900.074*
C11−0.3744 (9)1.2097 (6)0.2578 (5)0.076 (3)
H11−0.41721.15840.25910.092*
C12−0.2620 (10)1.1961 (7)0.2555 (5)0.079 (3)
H12−0.21881.24710.25530.095*
C130.0543 (6)0.6422 (4)0.1200 (4)0.0437 (19)
H13A−0.01410.62320.14960.052*
H13B0.03760.63370.07000.052*
C140.1318 (7)0.4541 (5)0.1332 (4)0.0420 (19)
C150.0127 (7)0.4378 (5)0.1429 (4)0.057 (2)
H15−0.04520.48560.15160.068*
C16−0.0220 (9)0.3501 (7)0.1397 (5)0.086 (3)
H16−0.10270.33960.14800.103*
C170.0615 (11)0.2789 (6)0.1244 (5)0.079 (3)
H170.03870.22030.12130.095*
C180.1802 (10)0.2974 (6)0.1140 (4)0.073 (3)
H180.23850.25020.10410.088*
C190.2142 (8)0.3822 (5)0.1176 (4)0.067 (3)
H190.29510.39230.10930.081*
C200.2829 (6)0.5734 (4)0.0609 (4)0.0394 (18)
C210.3966 (7)0.6086 (5)0.0635 (4)0.051 (2)
H210.42340.62360.10770.061*
C220.4675 (7)0.6207 (5)0.0020 (4)0.056 (2)
H220.53890.64820.00460.068*
C230.4357 (8)0.5934 (5)−0.0630 (4)0.061 (2)
H230.48620.5993−0.10430.073*
C240.3240 (8)0.5561 (6)−0.0659 (4)0.065 (2)
H240.29970.5374−0.10960.078*
C250.2520 (7)0.5473 (5)−0.0053 (4)0.053 (2)
H250.17870.5226−0.00860.064*
C260.1855 (6)0.7985 (4)0.0709 (4)0.0395 (18)
C270.1913 (7)0.7824 (5)−0.0034 (4)0.051 (2)
H270.13230.7514−0.02280.061*
C280.2841 (9)0.8123 (6)−0.0474 (5)0.065 (2)
H280.28650.8026−0.09670.077*
C290.3739 (8)0.8567 (6)−0.0191 (6)0.076 (3)
H290.43740.8756−0.04890.091*
C300.3685 (7)0.8729 (5)0.0539 (6)0.062 (2)
H300.42830.90310.07330.075*
C310.2757 (7)0.8447 (5)0.0974 (4)0.053 (2)
H310.27260.85680.14630.063*
C32−0.0722 (7)0.8126 (5)0.0853 (4)0.051 (2)
C33−0.1728 (8)0.7703 (5)0.0819 (4)0.058 (2)
H33−0.17360.71070.10010.069*
C34−0.2757 (8)0.8122 (6)0.0522 (5)0.071 (3)
H34−0.34600.78240.05400.085*
C35−0.2744 (8)0.8942 (7)0.0215 (5)0.089 (3)
H35−0.34100.9196−0.00280.107*
C36−0.1746 (9)0.9421 (6)0.0252 (5)0.086 (3)
H36−0.17621.00210.00790.103*
C37−0.0730 (8)0.9002 (6)0.0547 (5)0.079 (3)
H37−0.00360.93080.05420.095*
C380.0500 (6)0.6457 (4)0.3867 (4)0.049 (2)
H38A0.03530.64000.43880.058*
H38B−0.01870.62450.36450.058*
C390.1300 (7)0.4593 (5)0.3766 (4)0.049 (2)
C400.0297 (8)0.4385 (6)0.3444 (4)0.064 (2)
H40−0.01770.48430.32080.077*
C41−0.0033 (10)0.3502 (8)0.3460 (6)0.102 (4)
H41−0.07260.33810.32360.122*
C420.0629 (12)0.2815 (7)0.3793 (5)0.092 (4)
H420.04160.22220.37880.110*
C430.1606 (11)0.3010 (6)0.4133 (5)0.092 (3)
H430.20650.25470.43720.111*
C440.1940 (9)0.3887 (6)0.4133 (5)0.078 (3)
H440.26060.40050.43830.093*
C450.2827 (7)0.5788 (4)0.4352 (4)0.0406 (19)
C460.2484 (8)0.5600 (5)0.5079 (4)0.060 (2)
H460.17260.53980.51880.071*
C470.3213 (9)0.5700 (6)0.5632 (4)0.063 (2)
H470.29540.55520.61050.075*
C480.4328 (9)0.6016 (5)0.5495 (5)0.062 (2)
H480.48180.61060.58720.074*
C490.4699 (8)0.6195 (5)0.4797 (5)0.062 (2)
H490.54560.64020.46950.075*
C500.3962 (8)0.6074 (5)0.4233 (4)0.051 (2)
H500.42470.61900.37600.062*
C510.1817 (7)0.8027 (5)0.4107 (4)0.048 (2)
C520.1880 (8)0.7839 (5)0.4865 (4)0.057 (2)
H520.12930.75230.51160.069*
C530.2820 (9)0.8128 (6)0.5225 (5)0.068 (3)
H530.28810.79870.57170.082*
C540.3647 (9)0.8613 (6)0.4871 (7)0.074 (3)
H540.42710.88080.51210.089*
C550.3583 (8)0.8822 (5)0.4150 (6)0.068 (3)
H550.41670.91540.39110.082*
C560.2644 (7)0.8540 (5)0.3768 (5)0.057 (2)
H560.25850.87050.32800.068*
C57−0.0764 (7)0.8199 (5)0.4061 (4)0.049 (2)
C58−0.0741 (8)0.8976 (6)0.4431 (5)0.084 (3)
H58−0.00100.92160.44880.101*
C59−0.1805 (9)0.9410 (7)0.4721 (6)0.096 (3)
H59−0.17780.99440.49630.115*
C60−0.2890 (9)0.9062 (7)0.4654 (6)0.099 (3)
H60−0.35980.93540.48490.119*
C61−0.2917 (8)0.8273 (6)0.4294 (5)0.082 (3)
H61−0.36500.80310.42470.098*
C62−0.1892 (8)0.7843 (6)0.4007 (4)0.068 (2)
H62−0.19300.73060.37700.081*
C630.4518 (7)0.7361 (5)0.2385 (4)0.045 (2)
C640.5343 (8)0.8084 (6)0.2355 (5)0.082 (3)
H64A0.59450.79790.19710.123*
H64B0.57270.80860.28060.123*
H64C0.48970.86590.22670.123*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0400 (6)0.0310 (5)0.0509 (6)0.0062 (4)−0.0044 (5)−0.0040 (4)
Cu20.0430 (6)0.0369 (6)0.0598 (7)0.0136 (5)−0.0053 (5)−0.0046 (4)
B10.069 (8)0.065 (8)0.065 (8)−0.005 (7)0.002 (7)−0.003 (6)
B20.148 (18)0.038 (9)0.23 (2)−0.026 (10)0.023 (17)−0.003 (11)
F10.095 (3)0.162 (4)0.101 (3)−0.046 (3)0.000 (3)−0.020 (3)
F20.085 (4)0.101 (4)0.098 (4)−0.025 (3)0.024 (3)−0.030 (3)
F30.112 (5)0.108 (5)0.092 (4)−0.045 (4)−0.021 (4)0.001 (3)
F40.094 (5)0.143 (7)0.247 (8)0.063 (5)−0.006 (5)0.016 (6)
F50.183 (9)0.185 (9)0.227 (9)−0.105 (7)−0.089 (7)0.032 (7)
F60.207 (8)0.130 (6)0.338 (9)−0.019 (6)−0.028 (7)−0.032 (6)
F70.130 (5)0.063 (4)0.169 (6)−0.018 (4)−0.015 (4)−0.015 (4)
F80.224 (8)0.289 (9)0.189 (7)−0.141 (7)0.021 (6)0.004 (6)
N10.040 (4)0.037 (4)0.054 (4)0.012 (3)−0.006 (3)−0.012 (3)
N20.044 (4)0.028 (4)0.068 (5)0.010 (3)−0.006 (4)−0.002 (3)
N30.048 (4)0.042 (4)0.040 (4)0.012 (3)−0.012 (3)−0.009 (3)
P10.0406 (12)0.0274 (11)0.0478 (12)0.0075 (9)−0.0082 (10)−0.0054 (9)
P20.0415 (12)0.0320 (11)0.0454 (12)0.0094 (9)−0.0062 (10)−0.0040 (9)
P30.0364 (12)0.0313 (11)0.0576 (14)0.0068 (9)−0.0045 (10)0.0021 (9)
P40.0377 (12)0.0374 (12)0.0543 (13)0.0088 (10)−0.0010 (10)−0.0081 (10)
C10.063 (6)0.036 (5)0.071 (6)0.001 (5)−0.004 (5)−0.007 (4)
C20.066 (7)0.029 (5)0.108 (8)0.013 (5)−0.004 (6)−0.010 (5)
C30.088 (8)0.062 (7)0.035 (5)0.034 (6)−0.003 (5)−0.007 (4)
C40.034 (5)0.077 (7)0.044 (5)0.018 (5)−0.005 (4)−0.012 (4)
C50.052 (6)0.040 (5)0.045 (5)0.006 (4)0.001 (4)−0.005 (4)
C60.055 (6)0.026 (5)0.095 (7)−0.004 (4)−0.009 (5)−0.012 (4)
C70.035 (5)0.075 (7)0.079 (7)0.023 (5)0.001 (5)0.001 (5)
C80.078 (7)0.042 (5)0.054 (6)0.017 (5)−0.008 (5)−0.005 (4)
C90.062 (7)0.034 (5)0.100 (7)0.011 (5)−0.016 (6)−0.004 (5)
C100.071 (6)0.036 (5)0.077 (6)0.008 (5)−0.010 (5)−0.002 (4)
C110.083 (8)0.056 (6)0.086 (7)0.012 (6)−0.001 (6)0.003 (5)
C120.082 (8)0.078 (7)0.071 (7)0.029 (6)−0.010 (6)−0.008 (5)
C130.034 (4)0.045 (5)0.051 (5)0.004 (4)−0.007 (4)0.004 (4)
C140.047 (5)0.033 (4)0.046 (5)−0.005 (4)−0.008 (4)0.004 (3)
C150.050 (6)0.051 (6)0.071 (6)−0.004 (5)−0.009 (5)−0.001 (4)
C160.074 (7)0.061 (7)0.124 (9)−0.029 (6)0.007 (6)0.006 (6)
C170.109 (9)0.039 (6)0.095 (8)−0.018 (6)−0.027 (7)0.004 (5)
C180.103 (9)0.045 (6)0.072 (7)0.010 (6)−0.014 (6)−0.020 (5)
C190.067 (6)0.033 (5)0.101 (7)0.007 (5)0.001 (5)−0.018 (5)
C200.029 (5)0.028 (4)0.060 (5)0.012 (3)−0.006 (4)−0.011 (4)
C210.060 (6)0.052 (5)0.039 (5)0.005 (4)0.002 (4)−0.003 (4)
C220.055 (6)0.051 (5)0.063 (6)−0.006 (4)0.004 (5)−0.009 (4)
C230.060 (6)0.072 (6)0.047 (6)0.004 (5)0.012 (5)−0.013 (4)
C240.059 (6)0.085 (7)0.049 (6)0.005 (5)−0.005 (5)−0.013 (5)
C250.058 (6)0.053 (5)0.049 (5)−0.001 (4)0.001 (5)−0.011 (4)
C260.034 (5)0.025 (4)0.058 (5)0.006 (3)−0.007 (4)0.002 (4)
C270.054 (6)0.038 (5)0.059 (6)0.005 (4)−0.012 (5)−0.001 (4)
C280.065 (7)0.061 (6)0.062 (6)0.011 (5)0.009 (6)0.012 (5)
C290.040 (6)0.076 (7)0.106 (9)0.003 (5)0.018 (6)0.030 (6)
C300.032 (5)0.051 (6)0.103 (8)−0.004 (4)−0.007 (5)0.012 (5)
C310.038 (5)0.046 (5)0.072 (6)0.005 (4)−0.016 (5)0.009 (4)
C320.046 (5)0.030 (5)0.075 (6)0.008 (4)−0.002 (4)0.004 (4)
C330.053 (6)0.047 (5)0.071 (6)0.005 (5)−0.017 (5)0.012 (4)
C340.046 (6)0.057 (6)0.110 (8)−0.005 (5)−0.015 (5)0.012 (5)
C350.048 (7)0.106 (9)0.107 (8)0.016 (6)−0.028 (6)0.035 (7)
C360.065 (6)0.062 (5)0.126 (7)0.006 (5)−0.017 (5)0.044 (5)
C370.045 (6)0.050 (6)0.139 (9)0.002 (5)−0.014 (6)0.021 (6)
C380.038 (5)0.042 (5)0.065 (5)0.010 (4)−0.010 (4)−0.011 (4)
C390.056 (6)0.040 (5)0.049 (5)0.003 (4)0.004 (4)0.001 (4)
C400.059 (6)0.046 (6)0.087 (7)0.004 (5)−0.020 (5)0.006 (5)
C410.093 (9)0.066 (8)0.154 (11)−0.029 (7)−0.033 (8)−0.012 (7)
C420.136 (11)0.055 (7)0.089 (8)−0.038 (8)0.000 (8)−0.012 (6)
C430.142 (11)0.034 (6)0.101 (8)−0.001 (6)−0.018 (8)−0.003 (5)
C440.092 (8)0.054 (6)0.088 (7)0.000 (6)−0.034 (6)0.009 (5)
C450.032 (5)0.023 (4)0.066 (6)0.012 (3)−0.012 (4)−0.005 (4)
C460.069 (6)0.053 (5)0.055 (6)0.004 (5)0.000 (5)−0.006 (4)
C470.078 (7)0.066 (6)0.043 (6)0.004 (5)−0.006 (5)−0.013 (4)
C480.073 (7)0.058 (6)0.056 (6)0.005 (5)−0.028 (5)−0.010 (5)
C490.064 (6)0.048 (5)0.074 (7)0.006 (4)−0.013 (6)−0.002 (5)
C500.056 (6)0.050 (5)0.045 (5)0.014 (4)−0.014 (5)0.000 (4)
C510.037 (5)0.041 (5)0.062 (6)0.009 (4)0.008 (4)−0.010 (4)
C520.059 (6)0.045 (5)0.065 (6)0.012 (4)−0.006 (5)−0.014 (4)
C530.076 (7)0.057 (6)0.072 (7)0.026 (5)−0.036 (6)−0.021 (5)
C540.045 (6)0.053 (6)0.127 (10)0.008 (5)−0.023 (7)−0.023 (6)
C550.044 (6)0.052 (6)0.107 (8)−0.004 (5)0.009 (6)−0.012 (6)
C560.044 (5)0.042 (5)0.085 (6)−0.009 (4)0.013 (5)−0.013 (4)
C570.049 (5)0.032 (5)0.064 (6)0.018 (4)−0.004 (4)−0.010 (4)
C580.045 (6)0.051 (6)0.157 (10)0.022 (5)−0.006 (6)−0.041 (6)
C590.073 (6)0.073 (6)0.143 (7)−0.005 (5)0.011 (6)−0.042 (5)
C600.059 (7)0.082 (8)0.158 (10)0.011 (6)0.012 (7)−0.060 (7)
C610.037 (6)0.077 (7)0.130 (9)0.009 (5)0.004 (6)−0.031 (6)
C620.048 (6)0.071 (6)0.084 (7)0.004 (5)−0.005 (5)−0.030 (5)
C630.039 (5)0.037 (5)0.058 (5)−0.001 (4)−0.006 (4)−0.002 (4)
C640.070 (7)0.056 (6)0.124 (8)−0.013 (5)−0.006 (6)−0.014 (5)
Geometric parameters (Å, °) top
Cu1—N32.050 (7)C24—C251.353 (10)
Cu1—N12.135 (6)C24—H240.9300
Cu1—P22.279 (2)C25—H250.9300
Cu1—P12.283 (2)C26—C311.386 (9)
Cu2—N22.060 (6)C26—C271.405 (9)
Cu2—P32.239 (2)C27—C281.375 (10)
Cu2—P42.251 (2)C27—H270.9300
B1—F31.338 (10)C28—C291.383 (11)
B1—F21.344 (10)C28—H280.9300
B1—F41.400 (10)C29—C301.381 (11)
B1—F11.418 (10)C29—H290.9300
B2—F81.268 (13)C30—C311.360 (10)
B2—F51.304 (15)C30—H300.9300
B2—F71.347 (12)C31—H310.9300
B2—F61.364 (13)C32—C331.338 (9)
N1—C51.335 (8)C32—C371.392 (10)
N1—C11.347 (8)C33—C341.384 (10)
N2—C61.325 (9)C33—H330.9300
N2—C101.335 (9)C34—C351.319 (11)
N3—C631.110 (8)C34—H340.9300
P1—C201.815 (7)C35—C361.377 (11)
P1—C131.820 (7)C35—H350.9300
P1—C141.834 (7)C36—C371.371 (10)
P2—C451.803 (7)C36—H360.9300
P2—C391.827 (8)C37—H370.9300
P2—C381.847 (7)C38—H38A0.9700
P3—C261.812 (7)C38—H38B0.9700
P3—C321.836 (8)C39—C401.360 (10)
P3—C131.846 (7)C39—C441.386 (10)
P4—C511.820 (8)C40—C411.388 (11)
P4—C571.826 (7)C40—H400.9300
P4—C381.855 (7)C41—C421.350 (12)
C1—C21.357 (10)C41—H410.9300
C1—H10.9300C42—C431.346 (12)
C2—C31.348 (11)C42—H420.9300
C2—H20.9300C43—C441.382 (11)
C3—C41.396 (11)C43—H430.9300
C3—C11i1.506 (11)C44—H440.9300
C4—C51.415 (10)C45—C501.374 (10)
C4—H40.9300C45—C461.402 (9)
C5—H50.9300C46—C471.362 (10)
C6—C71.372 (10)C46—H460.9300
C6—H60.9300C47—C481.373 (11)
C7—C81.361 (10)C47—H470.9300
C7—H70.9300C48—C491.360 (10)
C8—C91.356 (11)C48—H480.9300
C8—C121.545 (11)C49—C501.390 (9)
C9—C101.352 (10)C49—H490.9300
C9—H90.9300C50—H500.9300
C10—H100.9300C51—C561.356 (9)
C11—C121.250 (10)C51—C521.424 (9)
C11—C3ii1.506 (11)C52—C531.380 (10)
C11—H110.9300C52—H520.9300
C12—H120.9300C53—C541.344 (11)
C13—H13A0.9700C53—H530.9300
C13—H13B0.9700C54—C551.362 (11)
C14—C151.371 (10)C54—H540.9300
C14—C191.375 (10)C55—C561.398 (10)
C15—C161.393 (11)C55—H550.9300
C15—H150.9300C56—H560.9300
C16—C171.373 (12)C57—C581.370 (10)
C16—H160.9300C57—C621.416 (10)
C17—C181.377 (12)C58—C591.393 (11)
C17—H170.9300C58—H580.9300
C18—C191.349 (10)C59—C601.370 (11)
C18—H180.9300C59—H590.9300
C19—H190.9300C60—C611.377 (11)
C20—C251.373 (9)C60—H600.9300
C20—C211.415 (9)C61—C621.354 (11)
C21—C221.367 (9)C61—H610.9300
C21—H210.9300C62—H620.9300
C22—C231.362 (9)C63—C641.468 (10)
C22—H220.9300C64—H64A0.9600
C23—C241.411 (10)C64—H64B0.9600
C23—H230.9300C64—H64C0.9600
N3—Cu1—N1102.5 (2)C23—C24—H24119.8
N3—Cu1—P2109.40 (16)C24—C25—C20122.5 (8)
N1—Cu1—P299.37 (17)C24—C25—H25118.7
N3—Cu1—P1111.69 (16)C20—C25—H25118.7
N1—Cu1—P1104.49 (16)C31—C26—C27117.9 (7)
P2—Cu1—P1125.82 (9)C31—C26—P3119.9 (6)
N2—Cu2—P3109.65 (17)C27—C26—P3122.1 (6)
N2—Cu2—P4105.34 (17)C28—C27—C26120.0 (8)
P3—Cu2—P4142.34 (8)C28—C27—H27120.0
F3—B1—F2109.8 (9)C26—C27—H27120.0
F3—B1—F4106.2 (8)C27—C28—C29120.6 (8)
F2—B1—F4108.7 (8)C27—C28—H28119.7
F3—B1—F1109.4 (8)C29—C28—H28119.7
F2—B1—F1110.3 (8)C30—C29—C28119.5 (8)
F4—B1—F1112.3 (9)C30—C29—H29120.2
F8—B2—F5108.9 (13)C28—C29—H29120.2
F8—B2—F7117.9 (14)C31—C30—C29120.0 (8)
F5—B2—F7115.8 (12)C31—C30—H30120.0
F8—B2—F6103.6 (12)C29—C30—H30120.0
F5—B2—F6101.8 (13)C30—C31—C26121.9 (8)
F7—B2—F6106.6 (12)C30—C31—H31119.0
C5—N1—C1115.4 (7)C26—C31—H31119.0
C5—N1—Cu1123.5 (5)C33—C32—C37117.1 (7)
C1—N1—Cu1121.0 (5)C33—C32—P3124.2 (6)
C6—N2—C10115.5 (7)C37—C32—P3118.6 (7)
C6—N2—Cu2118.5 (5)C32—C33—C34122.1 (8)
C10—N2—Cu2126.0 (6)C32—C33—H33119.0
C63—N3—Cu1178.9 (6)C34—C33—H33119.0
C20—P1—C13102.9 (3)C35—C34—C33120.2 (8)
C20—P1—C14100.0 (3)C35—C34—H34119.9
C13—P1—C14102.4 (3)C33—C34—H34119.9
C20—P1—Cu1115.6 (2)C34—C35—C36120.1 (8)
C13—P1—Cu1120.4 (2)C34—C35—H35120.0
C14—P1—Cu1112.9 (2)C36—C35—H35120.0
C45—P2—C39103.4 (3)C37—C36—C35119.1 (8)
C45—P2—C38103.6 (3)C37—C36—H36120.4
C39—P2—C38101.2 (3)C35—C36—H36120.4
C45—P2—Cu1115.8 (3)C36—C37—C32121.0 (8)
C39—P2—Cu1108.5 (2)C36—C37—H37119.5
C38—P2—Cu1122.0 (2)C32—C37—H37119.5
C26—P3—C32103.3 (3)P2—C38—P4114.6 (4)
C26—P3—C13106.5 (3)P2—C38—H38A108.6
C32—P3—C13101.3 (3)P4—C38—H38A108.6
C26—P3—Cu2117.8 (3)P2—C38—H38B108.6
C32—P3—Cu2107.8 (3)P4—C38—H38B108.6
C13—P3—Cu2118.0 (2)H38A—C38—H38B107.6
C51—P4—C57103.9 (3)C40—C39—C44116.5 (8)
C51—P4—C38105.3 (3)C40—C39—P2120.4 (6)
C57—P4—C38101.9 (3)C44—C39—P2122.6 (7)
C51—P4—Cu2117.5 (3)C39—C40—C41121.3 (8)
C57—P4—Cu2105.6 (2)C39—C40—H40119.4
C38—P4—Cu2120.3 (2)C41—C40—H40119.4
N1—C1—C2126.1 (8)C42—C41—C40121.5 (10)
N1—C1—H1117.0C42—C41—H41119.3
C2—C1—H1117.0C40—C41—H41119.3
C3—C2—C1118.6 (8)C43—C42—C41118.2 (10)
C3—C2—H2120.7C43—C42—H42120.9
C1—C2—H2120.7C41—C42—H42120.9
C2—C3—C4119.1 (8)C42—C43—C44121.2 (10)
C2—C3—C11i116.6 (9)C42—C43—H43119.4
C4—C3—C11i124.3 (9)C44—C43—H43119.4
C3—C4—C5118.2 (8)C43—C44—C39121.3 (9)
C3—C4—H4120.9C43—C44—H44119.4
C5—C4—H4120.9C39—C44—H44119.4
N1—C5—C4122.6 (7)C50—C45—C46115.2 (7)
N1—C5—H5118.7C50—C45—P2120.8 (6)
C4—C5—H5118.7C46—C45—P2123.9 (6)
N2—C6—C7123.5 (7)C47—C46—C45122.9 (8)
N2—C6—H6118.3C47—C46—H46118.5
C7—C6—H6118.3C45—C46—H46118.5
C8—C7—C6119.6 (8)C46—C47—C48120.4 (8)
C8—C7—H7120.2C46—C47—H47119.8
C6—C7—H7120.2C48—C47—H47119.8
C9—C8—C7117.5 (8)C49—C48—C47118.5 (8)
C9—C8—C12119.0 (9)C49—C48—H48120.8
C7—C8—C12123.4 (9)C47—C48—H48120.8
C10—C9—C8119.8 (8)C48—C49—C50120.9 (8)
C10—C9—H9120.1C48—C49—H49119.5
C8—C9—H9120.1C50—C49—H49119.5
N2—C10—C9124.2 (8)C45—C50—C49122.1 (8)
N2—C10—H10117.9C45—C50—H50118.9
C9—C10—H10117.9C49—C50—H50118.9
C12—C11—C3ii127.2 (10)C56—C51—C52118.6 (7)
C12—C11—H11116.4C56—C51—P4119.7 (6)
C3ii—C11—H11116.4C52—C51—P4121.6 (6)
C11—C12—C8126.5 (10)C53—C52—C51119.5 (8)
C11—C12—H12116.8C53—C52—H52120.2
C8—C12—H12116.8C51—C52—H52120.2
P1—C13—P3117.6 (4)C54—C53—C52120.5 (9)
P1—C13—H13A107.9C54—C53—H53119.7
P3—C13—H13A107.9C52—C53—H53119.7
P1—C13—H13B107.9C53—C54—C55120.9 (9)
P3—C13—H13B107.9C53—C54—H54119.6
H13A—C13—H13B107.2C55—C54—H54119.6
C15—C14—C19118.0 (7)C54—C55—C56120.1 (8)
C15—C14—P1123.0 (6)C54—C55—H55119.9
C19—C14—P1119.0 (6)C56—C55—H55119.9
C14—C15—C16120.5 (8)C51—C56—C55120.3 (8)
C14—C15—H15119.8C51—C56—H56119.9
C16—C15—H15119.8C55—C56—H56119.9
C17—C16—C15120.8 (9)C58—C57—C62117.8 (7)
C17—C16—H16119.6C58—C57—P4121.5 (7)
C15—C16—H16119.6C62—C57—P4120.6 (6)
C16—C17—C18117.5 (9)C57—C58—C59120.4 (8)
C16—C17—H17121.3C57—C58—H58119.8
C18—C17—H17121.3C59—C58—H58119.8
C19—C18—C17121.8 (9)C60—C59—C58120.9 (9)
C19—C18—H18119.1C60—C59—H59119.6
C17—C18—H18119.1C58—C59—H59119.6
C18—C19—C14121.4 (9)C59—C60—C61119.0 (9)
C18—C19—H19119.3C59—C60—H60120.5
C14—C19—H19119.3C61—C60—H60120.5
C25—C20—C21116.6 (7)C62—C61—C60121.0 (9)
C25—C20—P1123.5 (6)C62—C61—H61119.5
C21—C20—P1119.9 (5)C60—C61—H61119.5
C22—C21—C20121.0 (7)C61—C62—C57120.9 (8)
C22—C21—H21119.5C61—C62—H62119.6
C20—C21—H21119.5C57—C62—H62119.6
C23—C22—C21121.4 (8)N3—C63—C64179.1 (8)
C23—C22—H22119.3C63—C64—H64A109.5
C21—C22—H22119.3C63—C64—H64B109.5
C22—C23—C24117.9 (8)H64A—C64—H64B109.5
C22—C23—H23121.0C63—C64—H64C109.5
C24—C23—H23121.0H64A—C64—H64C109.5
C25—C24—C23120.4 (8)H64B—C64—H64C109.5
C25—C24—H24119.8
Symmetry codes: (i) x+1, y−1, z; (ii) x−1, y+1, z.
Table 1
Selected geometric parameters (Å, °) top
Cu1—N32.050 (7)Cu2—N22.060 (6)
Cu1—N12.135 (6)Cu2—P32.239 (2)
Cu1—P22.279 (2)Cu2—P42.251 (2)
Cu1—P12.283 (2)
P2—Cu1—P1125.82 (9)P3—Cu2—P4142.34 (8)
Acknowledgements top

We acknowledge the National Natural Science Foundation of China (20761006).

references
References top

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Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.

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