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Acta Cryst. (2008). E64, m391    [ doi:10.1107/S1600536808001530 ]

catena-Poly[[copper(I)-bis[[mu]-bis(diphenylphosphino)methane-[kappa]2P:P']-copper(I)-[mu]-2,2'-bipyridine-[kappa]2N:N'] bis(tetrafluoridoborate) dichloromethane 2.5-solvate]

J. Mo, G.-Z. Hu, W. Chen, L. Yuan and Y.-S. Pan

Abstract top

The title complex, {[Cu2(C10H8N2)(C25H22P2)2](BF4)2·2.5CH2Cl2}n, contains chains of CuI centres bridged alternately by two (diphenylphosphino)methane (dppm) and 4,4'-bipyridine (bpy) ligands. Each CuI atom is coordinated by one N atom of 4,4'-bipyridine (bpy) and two P atoms of two (diphenylphosphino)methane (dppm) ligand, and has a trigonal-planar coordination geometry. There is an inversion centre midway between each pair of adjacent Cu atoms. The distance of two CuI atoms separated by two (diphenylphosphino)methane bridging ligands is 3.732 (3) Å, and 4,4'-bipyridine 11.138 (5) Å.

Comment top

4,4'-bipyridine is widely used in the construction of transition metal coordination complexes, because of its rod-like shape, which allows the ligand to connect metal ions into an extended array (Park et al., 2001). The hydrocarbon backbone bisphosphine ligand Ph2PCH2PPh2 (dppm) has been widely studied and has shown great versatility as a ligand for its ability to bridge metal centers in the µ-bonding mode, forming bi- and polynuclear complexes (Ahuja et al., 2007; Sekabunga et al., 2002; Yam et al., 2001). Here, we report crystal structure of the title compound, (I), one-dimensional chain coordination polymer bridged by (diphenylphosphino)methane and 4,4'-bipyridine.

The Cu atom in (I) (Fig. 1) has a trigonal–planar coordination geometry involving the N atom of the 4,4'-bipyridine ligand and two P atoms of two (diphenylphosphino)methane ligands. A four-coordinate tetrahedral coordination sphere is more usual for CuI atoms and the trigonal–planar arrangement in the presen complex may reflect the large size of the rigid organic ligands which would spacially hinder any additional donor atoms from entering the metal coordination sphere. The Cu—N bonds lengths are 2.018 (5) and 2.022 (5) Å, while the Cu—P bonds are between 2.233 (2) and 2.252 (2) Å (Table 1). The two CuI ions in (I) are doubly bridged by two (diphenylphosphino)methane ligands and single bridged by 4,4'-bipyridine ligands. The Cu···Cu distance bridged by two (diphenylphosphino)methane is 3.732 (3) Å, much shorter than reported data, 4.720 (5)Å (Liu et al., 2006).

Related literature top

For related literature, see: Ahuja et al. (2007); Liu et al. (2006); Park et al. (2001); Sekabunga et al. (2002); Yam et al. (2001).

Experimental top

A 10 ml dichloromethane solution of 4,4'-bipyridine (0.078 g, 0.5 mmol) was added to a 20 mL dichloromethane solution of [Cu(CH3CN)4][BF4] (0.372 g, 1.0 mmol) and (diphenylphosphino)methane (0.384 g, 1.0 mmol) under N2 atmosphere. The mixture was stirred for 10 h. Yellow crystals suitable for X-ray diffraction were formed by vapour diffusion of diethyl ethyl ether into dichloromethane solution.

Refinement top

All hydrogen atoms were generated geometrically (C—H bond lengths fixed at 0.93 Å), assigned appropriated isotropic thermal parameters, Uiso(H) = 1.2Ueq(C). During the structure refinement, a region of electron density was identified as a disordered dichloromethane solvent molecule. The site occupancies were determined using an isotropic model using DFIX 1.75 (1) (C61—Cl1, C61—Cl2, C61—Cl1', C61—Cl2') Å restraints in subsequent refinement cycles. 'ISOR' and 'simu' restraint was applied for atoms from F1 to Cl6 for preventing these atoms from becoming 'non-positive-definite'.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. Molecular structure of the title compound showing the atom-numbering scheme and displacement ellipsoids drawn at the 50% probability level. The symmetry code for the unlabelled atoms is (-x, y, 0.5 - z). Free (BF4)- anions and dichloromethane solvent molecules are not shown.
catena-Poly[[copper(I)-bis[µ-bis(diphenylphosphino)methane-κ2P:P']- copper(I)-µ-2,2'-bipyridine-κ2N:N'] bis(tetrafluoridoborate) dichloromethane 2.5-solvate] top
Crystal data top
[Cu2(C10H8N2)(C25H22P2)2](BF4)2·2.5CH2Cl2Z = 2
Mr = 1437.93F(000) = 1462
Triclinic, P1Dx = 1.386 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.9860 (12) ÅCell parameters from 4736 reflections
b = 16.1541 (18) Åθ = 2.4–23.6°
c = 20.336 (2) ŵ = 0.96 mm−1
α = 82.821 (2)°T = 294 K
β = 89.030 (2)°Block, yellow
γ = 74.237 (2)°0.22 × 0.12 × 0.06 mm
V = 3445.5 (7) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer		12068 independent reflections
Radiation source: fine-focus sealed tube7620 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.029
phi and ω scansθmax = 25.0°, θmin = 1.0°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −13→13
Tmin = 0.871, Tmax = 0.947k = −19→17
17673 measured reflectionsl = −24→22
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)] = 0.068Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.231H-atom parameters constrained
S = 1.16 w = 1/[σ2(Fo2) + (0.1056P)2 + 4.6434P]
where P = (Fo2 + 2Fc2)/3
12068 reflections(Δ/σ)max = 0.005
802 parametersΔρmax = 1.14 e Å−3
142 restraintsΔρmin = −0.54 e Å−3
Crystal data top
[Cu2(C10H8N2)(C25H22P2)2](BF4)2·2.5CH2Cl2γ = 74.237 (2)°
Mr = 1437.93V = 3445.5 (7) Å3
Triclinic, P1Z = 2
a = 10.9860 (12) ÅMo Kα radiation
b = 16.1541 (18) ŵ = 0.96 mm−1
c = 20.336 (2) ÅT = 294 K
α = 82.821 (2)°0.22 × 0.12 × 0.06 mm
β = 89.030 (2)°
Data collection top
Bruker SMART CCD area-detector
diffractometer		12068 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		7620 reflections with I > 2σ(I)
Tmin = 0.871, Tmax = 0.947Rint = 0.029
17673 measured reflectionsθmax = 25.0°
Refinement top
R[F2 > 2σ(F2)] = 0.068H-atom parameters constrained
wR(F2) = 0.231Δρmax = 1.14 e Å−3
S = 1.16Δρmin = −0.54 e Å−3
12068 reflectionsAbsolute structure: ?
802 parametersFlack parameter: ?
142 restraintsRogers parameter: ?
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 > 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 (Å2) top
xyzUiso*/UeqOcc. (<1)
Cu10.78585 (7)0.65849 (5)0.13999 (4)0.0383 (2)
Cu20.78806 (7)0.65568 (5)0.32279 (4)0.0428 (2)
P10.98370 (15)0.57875 (11)0.16926 (8)0.0355 (4)
P20.99714 (16)0.59589 (11)0.32001 (8)0.0389 (4)
P30.72735 (15)0.80272 (10)0.13569 (8)0.0366 (4)
P40.67290 (16)0.78988 (11)0.28283 (8)0.0395 (4)
N10.6855 (5)0.6018 (4)0.0866 (3)0.0495 (14)
N20.6907 (5)0.5954 (4)0.3888 (3)0.0525 (15)
C11.0679 (6)0.6038 (4)0.2380 (3)0.0375 (14)
H1A1.15280.56500.24090.045*
H1B1.07570.66230.22710.045*
C20.7395 (6)0.8469 (4)0.2137 (3)0.0425 (15)
H2A0.82770.84150.22350.051*
H2B0.69470.90810.20870.051*
C30.6815 (7)0.6091 (5)0.0209 (4)0.0549 (19)
H30.72890.6421−0.00280.066*
C40.6106 (7)0.5704 (5)−0.0141 (4)0.0532 (18)
H40.61180.5775−0.06020.064*
C50.5390 (6)0.5220 (4)0.0178 (3)0.0426 (15)
C60.5439 (9)0.5137 (7)0.0860 (4)0.084 (3)
H60.49810.48040.11060.101*
C70.6158 (9)0.5541 (6)0.1177 (4)0.075 (3)
H70.61580.54790.16380.090*
C80.6417 (9)0.5347 (6)0.3733 (4)0.070 (2)
H80.65700.51730.33130.084*
C90.5684 (9)0.4951 (6)0.4156 (4)0.072 (2)
H90.53720.45190.40190.087*
C100.5414 (6)0.5194 (5)0.4778 (3)0.0473 (17)
C110.5956 (8)0.5812 (6)0.4941 (4)0.064 (2)
H110.58360.59870.53610.077*
C120.6671 (7)0.6179 (6)0.4498 (4)0.062 (2)
H120.70080.66040.46270.074*
C131.0142 (7)0.4618 (4)0.1806 (3)0.0445 (16)
C140.9186 (8)0.4251 (5)0.2047 (4)0.061 (2)
H140.84070.46060.21530.073*
C150.9390 (12)0.3367 (7)0.2129 (5)0.086 (3)
H150.87380.31310.22820.103*
C161.0505 (14)0.2838 (6)0.1992 (5)0.093 (3)
H161.06230.22410.20560.112*
C171.1473 (11)0.3168 (6)0.1760 (5)0.092 (3)
H171.22490.27970.16690.110*
C181.1293 (8)0.4070 (5)0.1658 (4)0.063 (2)
H181.19430.42990.14910.076*
C191.0747 (6)0.6024 (4)0.0971 (3)0.0398 (15)
C201.1738 (7)0.6396 (5)0.0979 (4)0.0550 (19)
H201.20330.64880.13820.066*
C211.2309 (9)0.6638 (5)0.0393 (4)0.071 (2)
H211.29680.68960.04070.085*
C221.1886 (9)0.6493 (5)−0.0210 (4)0.067 (2)
H221.22590.6651−0.06020.081*
C231.0928 (9)0.6119 (6)−0.0220 (4)0.068 (2)
H231.06480.6016−0.06240.081*
C241.0350 (7)0.5885 (5)0.0361 (3)0.0534 (18)
H240.96880.56320.03400.064*
C251.0569 (7)0.4842 (4)0.3587 (3)0.0458 (16)
C260.9971 (8)0.4582 (6)0.4146 (4)0.068 (2)
H260.92820.49770.43050.081*
C271.0364 (10)0.3756 (6)0.4474 (4)0.082 (3)
H270.99450.35940.48490.099*
C281.1388 (11)0.3170 (6)0.4240 (5)0.084 (3)
H281.16650.26100.44600.100*
C291.1986 (10)0.3405 (6)0.3695 (5)0.089 (3)
H291.26690.30050.35380.107*
C301.1588 (8)0.4248 (5)0.3364 (4)0.067 (2)
H301.20150.44060.29910.081*
C311.0784 (7)0.6594 (4)0.3634 (3)0.0447 (16)
C321.0151 (10)0.7392 (6)0.3748 (6)0.098 (4)
H320.92950.75950.36360.117*
C331.0740 (12)0.7925 (7)0.4027 (7)0.121 (5)
H331.02850.84860.40870.145*
C341.1969 (11)0.7635 (7)0.4213 (5)0.094 (3)
H341.23650.79820.44130.113*
C351.2608 (11)0.6829 (8)0.4102 (7)0.131 (5)
H351.34580.66190.42250.157*
C361.2027 (9)0.6315 (6)0.3812 (6)0.097 (4)
H361.24930.57630.37360.117*
C370.5734 (6)0.8662 (4)0.1014 (3)0.0441 (16)
C380.4900 (7)0.8261 (5)0.0793 (4)0.0571 (19)
H380.51280.76590.08190.069*
C390.3730 (8)0.8729 (6)0.0533 (5)0.073 (2)
H390.31810.84440.03820.088*
C400.3380 (8)0.9606 (6)0.0498 (5)0.073 (2)
H400.25910.99220.03230.087*
C410.4191 (8)1.0023 (5)0.0721 (4)0.071 (2)
H410.39461.06240.07020.086*
C420.5378 (7)0.9556 (5)0.0976 (4)0.059 (2)
H420.59310.98440.11210.071*
C430.8411 (6)0.8383 (4)0.0809 (3)0.0398 (15)
C440.9262 (7)0.8800 (5)0.1004 (4)0.0577 (19)
H440.92460.89490.14310.069*
C451.0150 (8)0.8998 (6)0.0553 (5)0.079 (3)
H451.07320.92690.06880.094*
C461.0176 (8)0.8800 (6)−0.0076 (5)0.072 (3)
H461.07620.8945−0.03720.086*
C470.9345 (9)0.8392 (5)−0.0273 (4)0.070 (2)
H470.93700.8250−0.07030.084*
C480.8463 (7)0.8185 (5)0.0161 (4)0.0553 (19)
H480.78940.79090.00170.066*
C490.5100 (6)0.8011 (5)0.2594 (3)0.0461 (16)
C500.4726 (8)0.7277 (5)0.2510 (4)0.065 (2)
H500.53120.67360.25730.078*
C510.3485 (9)0.7345 (7)0.2334 (5)0.091 (3)
H510.32430.68460.22880.109*
C520.2625 (9)0.8124 (8)0.2227 (5)0.093 (3)
H520.18040.81610.20960.112*
C530.2958 (8)0.8862 (7)0.2313 (5)0.085 (3)
H530.23570.93970.22490.102*
C540.4209 (7)0.8813 (5)0.2496 (4)0.063 (2)
H540.44360.93140.25520.076*
C550.6621 (7)0.8577 (5)0.3482 (3)0.0506 (17)
C560.5872 (9)0.8459 (6)0.4022 (4)0.082 (3)
H560.53550.80890.40230.098*
C570.5906 (13)0.8909 (9)0.4570 (5)0.118 (4)
H570.54260.88200.49400.142*
C580.6634 (15)0.9473 (9)0.4567 (6)0.117 (4)
H580.66280.97740.49290.141*
C590.7358 (11)0.9597 (8)0.4046 (6)0.100 (3)
H590.78480.99850.40450.120*
C600.7373 (8)0.9144 (6)0.3511 (4)0.070 (2)
H600.79000.92200.31590.084*
B10.9148 (14)0.0567 (12)0.2166 (8)0.103 (5)
B20.4736 (11)0.4350 (9)0.2520 (6)0.081 (3)
F10.9614 (9)−0.0327 (6)0.2453 (5)0.168 (3)
F21.0190 (10)0.0665 (7)0.1914 (5)0.187 (4)
F30.8700 (9)0.1076 (7)0.2601 (5)0.186 (4)
F40.8255 (10)0.0519 (7)0.1752 (5)0.196 (4)
F50.5923 (7)0.4249 (6)0.2422 (4)0.146 (3)
F60.4082 (9)0.5169 (6)0.2445 (5)0.177 (3)
F70.4209 (9)0.4062 (6)0.2021 (4)0.167 (3)
F80.4520 (7)0.3947 (5)0.3116 (3)0.133 (2)
C610.8862 (11)0.9237 (16)0.6448 (6)0.123 (8)0.25
H61A0.94900.86790.65110.148*0.25
H61B0.89970.95610.67980.148*0.25
Cl10.9139 (14)0.9790 (8)0.5688 (5)0.088 (4)0.25
Cl20.7380 (10)0.9060 (8)0.6547 (9)0.085 (4)0.25
C61'0.8862 (11)0.9237 (16)0.6448 (6)0.123 (8)0.25
H61C0.90490.96500.67110.148*0.25
H61D0.92620.86600.66670.148*0.25
Cl1'0.9515 (13)0.9359 (9)0.5672 (5)0.088 (4)0.25
Cl2'0.7237 (10)0.9386 (11)0.6427 (8)0.093 (5)0.25
C620.2991 (13)0.7668 (9)0.6418 (7)0.129 (4)
H62A0.25510.82060.65830.155*
H62B0.35130.72930.67760.155*
Cl30.3935 (6)0.7879 (4)0.5765 (3)0.198 (2)
Cl40.1885 (5)0.7164 (4)0.6152 (2)0.1833 (19)
C630.4294 (14)0.8051 (9)0.8138 (7)0.135 (5)
H63A0.44370.75030.79610.162*
H63B0.34010.83520.80860.162*
Cl50.5165 (7)0.8663 (4)0.7710 (3)0.227 (3)
Cl60.4723 (6)0.7864 (3)0.8974 (2)0.192 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0361 (4)0.0390 (4)0.0439 (5)−0.0160 (3)−0.0046 (3)−0.0070 (3)
Cu20.0386 (5)0.0483 (5)0.0426 (5)−0.0170 (4)0.0059 (3)0.0012 (4)
P10.0330 (8)0.0404 (9)0.0350 (9)−0.0125 (7)−0.0017 (6)−0.0068 (7)
P20.0376 (9)0.0466 (10)0.0329 (9)−0.0138 (8)0.0007 (7)−0.0011 (7)
P30.0380 (9)0.0384 (9)0.0364 (9)−0.0165 (7)−0.0018 (7)−0.0025 (7)
P40.0374 (9)0.0428 (9)0.0404 (9)−0.0148 (7)0.0052 (7)−0.0047 (7)
N10.048 (3)0.045 (3)0.060 (4)−0.016 (3)−0.012 (3)−0.011 (3)
N20.048 (3)0.059 (4)0.054 (4)−0.025 (3)0.007 (3)0.006 (3)
C10.035 (3)0.048 (4)0.031 (3)−0.015 (3)−0.001 (3)−0.006 (3)
C20.049 (4)0.045 (4)0.040 (4)−0.024 (3)0.005 (3)−0.008 (3)
C30.054 (4)0.053 (4)0.063 (5)−0.024 (4)−0.011 (4)−0.004 (4)
C40.057 (5)0.057 (4)0.052 (4)−0.025 (4)−0.011 (3)−0.008 (3)
C50.032 (3)0.046 (4)0.052 (4)−0.013 (3)−0.006 (3)−0.009 (3)
C60.101 (7)0.136 (9)0.054 (5)−0.096 (7)0.003 (5)−0.018 (5)
C70.100 (7)0.108 (7)0.046 (5)−0.074 (6)−0.005 (4)−0.017 (4)
C80.093 (7)0.074 (6)0.054 (5)−0.041 (5)0.028 (4)−0.009 (4)
C90.097 (7)0.069 (5)0.066 (5)−0.048 (5)0.032 (5)−0.013 (4)
C100.047 (4)0.054 (4)0.039 (4)−0.017 (3)0.006 (3)0.006 (3)
C110.068 (5)0.092 (6)0.043 (4)−0.045 (5)0.005 (4)0.001 (4)
C120.062 (5)0.084 (6)0.053 (5)−0.043 (4)0.003 (4)−0.001 (4)
C130.052 (4)0.042 (4)0.040 (4)−0.016 (3)−0.006 (3)−0.001 (3)
C140.074 (5)0.059 (5)0.056 (5)−0.031 (4)0.007 (4)0.000 (4)
C150.129 (10)0.069 (6)0.075 (6)−0.058 (7)0.003 (6)0.002 (5)
C160.157 (12)0.048 (6)0.077 (7)−0.036 (7)−0.003 (7)0.001 (5)
C170.113 (9)0.057 (6)0.091 (7)0.008 (6)−0.009 (6)−0.022 (5)
C180.061 (5)0.051 (5)0.073 (5)−0.007 (4)−0.005 (4)−0.004 (4)
C190.044 (4)0.036 (3)0.036 (4)−0.006 (3)0.005 (3)−0.004 (3)
C200.070 (5)0.065 (5)0.044 (4)−0.039 (4)0.011 (4)−0.017 (3)
C210.083 (6)0.070 (6)0.073 (6)−0.042 (5)0.027 (5)−0.014 (4)
C220.084 (6)0.054 (5)0.054 (5)−0.007 (4)0.021 (4)0.002 (4)
C230.080 (6)0.083 (6)0.036 (4)−0.011 (5)0.003 (4)−0.014 (4)
C240.050 (4)0.071 (5)0.039 (4)−0.015 (4)−0.001 (3)−0.011 (3)
C250.049 (4)0.052 (4)0.038 (4)−0.018 (3)−0.005 (3)−0.001 (3)
C260.073 (6)0.068 (5)0.055 (5)−0.017 (4)0.006 (4)0.010 (4)
C270.102 (8)0.081 (7)0.065 (6)−0.039 (6)0.002 (5)0.023 (5)
C280.116 (9)0.051 (5)0.079 (7)−0.022 (6)−0.020 (6)0.010 (5)
C290.103 (8)0.055 (5)0.086 (7)0.014 (5)0.002 (6)−0.003 (5)
C300.068 (5)0.061 (5)0.061 (5)−0.002 (4)0.004 (4)0.004 (4)
C310.052 (4)0.051 (4)0.032 (3)−0.017 (3)−0.005 (3)−0.003 (3)
C320.073 (6)0.080 (7)0.147 (10)−0.014 (5)−0.036 (6)−0.051 (7)
C330.106 (9)0.086 (8)0.176 (13)−0.013 (7)−0.042 (9)−0.064 (8)
C340.104 (8)0.081 (7)0.104 (8)−0.029 (6)−0.043 (6)−0.020 (6)
C350.091 (8)0.089 (8)0.212 (15)−0.014 (7)−0.085 (9)−0.030 (9)
C360.075 (7)0.071 (6)0.149 (10)−0.015 (5)−0.050 (6)−0.027 (6)
C370.043 (4)0.047 (4)0.042 (4)−0.014 (3)0.001 (3)−0.002 (3)
C380.045 (4)0.053 (4)0.073 (5)−0.011 (4)−0.011 (4)−0.010 (4)
C390.049 (5)0.069 (6)0.101 (7)−0.017 (4)−0.019 (5)−0.007 (5)
C400.044 (5)0.067 (6)0.097 (7)−0.008 (4)−0.008 (4)0.013 (5)
C410.063 (5)0.050 (5)0.092 (6)−0.007 (4)−0.004 (5)0.009 (4)
C420.060 (5)0.044 (4)0.072 (5)−0.017 (4)−0.015 (4)0.009 (4)
C430.042 (4)0.029 (3)0.046 (4)−0.008 (3)0.003 (3)−0.001 (3)
C440.053 (5)0.062 (5)0.063 (5)−0.024 (4)0.008 (4)−0.007 (4)
C450.055 (5)0.086 (6)0.097 (7)−0.035 (5)0.017 (5)0.009 (5)
C460.061 (5)0.068 (6)0.078 (6)−0.013 (4)0.031 (5)0.007 (5)
C470.096 (7)0.059 (5)0.046 (5)−0.008 (5)0.024 (4)−0.003 (4)
C480.064 (5)0.049 (4)0.052 (4)−0.015 (4)0.005 (4)−0.007 (3)
C490.040 (4)0.053 (4)0.048 (4)−0.020 (3)0.008 (3)−0.003 (3)
C500.059 (5)0.065 (5)0.074 (5)−0.029 (4)−0.005 (4)0.004 (4)
C510.075 (7)0.097 (8)0.114 (8)−0.056 (6)−0.033 (6)0.017 (6)
C520.056 (6)0.114 (9)0.117 (9)−0.044 (6)−0.017 (5)0.009 (7)
C530.042 (5)0.101 (8)0.092 (7)0.007 (5)0.002 (4)0.005 (6)
C540.048 (5)0.062 (5)0.079 (6)−0.012 (4)0.011 (4)−0.010 (4)
C550.047 (4)0.054 (4)0.047 (4)−0.004 (3)0.002 (3)−0.012 (3)
C560.091 (7)0.091 (7)0.062 (6)−0.021 (6)0.023 (5)−0.017 (5)
C570.144 (12)0.155 (12)0.060 (7)−0.037 (10)0.045 (7)−0.043 (7)
C580.151 (12)0.121 (10)0.081 (8)−0.018 (9)−0.011 (8)−0.057 (8)
C590.118 (9)0.114 (9)0.083 (8)−0.039 (7)0.003 (7)−0.051 (7)
C600.077 (6)0.073 (6)0.070 (6)−0.027 (5)0.003 (4)−0.028 (5)
B10.081 (9)0.138 (13)0.104 (10)−0.031 (9)0.001 (8)−0.061 (10)
B20.068 (7)0.094 (9)0.083 (8)−0.035 (7)−0.008 (6)0.007 (7)
F10.171 (7)0.155 (6)0.176 (7)−0.053 (6)−0.006 (5)0.007 (5)
F20.179 (7)0.185 (7)0.199 (7)−0.067 (6)0.055 (6)−0.001 (6)
F30.178 (7)0.203 (7)0.173 (6)−0.010 (6)0.010 (5)−0.111 (6)
F40.171 (7)0.195 (7)0.207 (7)0.007 (6)−0.057 (6)−0.089 (6)
F50.083 (4)0.202 (7)0.138 (5)−0.036 (4)0.002 (4)0.028 (5)
F60.183 (7)0.121 (5)0.192 (7)0.006 (5)0.040 (6)0.006 (5)
F70.183 (7)0.202 (7)0.149 (6)−0.106 (6)−0.012 (5)−0.025 (5)
F80.116 (5)0.163 (6)0.115 (5)−0.055 (4)−0.003 (4)0.035 (4)
C610.125 (10)0.131 (10)0.115 (10)−0.033 (7)−0.010 (7)−0.020 (7)
Cl10.110 (8)0.085 (7)0.088 (6)−0.052 (6)−0.004 (5)−0.022 (5)
Cl20.102 (7)0.055 (6)0.092 (8)−0.015 (5)0.017 (6)0.001 (5)
C61'0.125 (10)0.131 (10)0.115 (10)−0.033 (7)−0.010 (7)−0.020 (7)
Cl1'0.086 (7)0.102 (8)0.071 (6)−0.016 (6)0.006 (5)−0.017 (6)
Cl2'0.098 (7)0.107 (9)0.065 (7)−0.012 (6)0.011 (5)−0.019 (7)
C620.137 (8)0.130 (8)0.115 (8)−0.018 (7)0.011 (7)−0.031 (7)
Cl30.212 (5)0.187 (4)0.187 (4)−0.058 (4)0.041 (4)0.009 (3)
Cl40.197 (5)0.200 (4)0.160 (4)−0.059 (4)0.002 (3)−0.035 (3)
C630.138 (8)0.120 (8)0.145 (9)−0.028 (7)−0.013 (7)−0.020 (7)
Cl50.242 (6)0.204 (5)0.221 (5)−0.055 (4)0.047 (4)0.005 (4)
Cl60.242 (5)0.182 (4)0.141 (3)−0.044 (4)−0.033 (3)−0.007 (3)
Geometric parameters (Å, º) top
Cu1—N12.018 (5)C30—H300.9300
Cu1—P32.2329 (18)C31—C321.334 (11)
Cu1—P12.2515 (18)C31—C361.356 (11)
Cu2—N22.022 (5)C32—C331.387 (12)
Cu2—P22.2397 (19)C32—H320.9300
Cu2—P42.2505 (19)C33—C341.347 (14)
P1—C131.812 (7)C33—H330.9300
P1—C191.821 (6)C34—C351.345 (15)
P1—C11.834 (6)C34—H340.9300
P2—C251.823 (7)C35—C361.367 (13)
P2—C11.833 (6)C35—H350.9300
P2—C311.838 (7)C36—H360.9300
P3—C431.820 (6)C37—C381.368 (10)
P3—C371.821 (7)C37—C421.382 (10)
P3—C21.841 (6)C38—C391.378 (10)
P4—C551.808 (7)C38—H380.9300
P4—C491.815 (7)C39—C401.355 (11)
P4—C21.835 (6)C39—H390.9300
N1—C31.327 (9)C40—C411.368 (12)
N1—C71.328 (9)C40—H400.9300
N2—C81.312 (10)C41—C421.388 (11)
N2—C121.336 (9)C41—H410.9300
C1—H1A0.9700C42—H420.9300
C1—H1B0.9700C43—C441.381 (9)
C2—H2A0.9700C43—C481.392 (9)
C2—H2B0.9700C44—C451.399 (10)
C3—C41.377 (9)C44—H440.9300
C3—H30.9300C45—C461.356 (12)
C4—C51.357 (9)C45—H450.9300
C4—H40.9300C46—C471.353 (12)
C5—C61.376 (10)C46—H460.9300
C5—C5i1.499 (12)C47—C481.379 (11)
C6—C71.366 (10)C47—H470.9300
C6—H60.9300C48—H480.9300
C7—H70.9300C49—C501.385 (10)
C8—C91.385 (10)C49—C541.389 (10)
C8—H80.9300C50—C511.388 (11)
C9—C101.373 (10)C50—H500.9300
C9—H90.9300C51—C521.347 (14)
C10—C111.368 (10)C51—H510.9300
C10—C10ii1.477 (12)C52—C531.369 (14)
C11—C121.370 (10)C52—H520.9300
C11—H110.9300C53—C541.408 (11)
C12—H120.9300C53—H530.9300
C13—C181.385 (10)C54—H540.9300
C13—C141.394 (9)C55—C561.386 (11)
C14—C151.374 (12)C55—C601.398 (11)
C14—H140.9300C56—C571.411 (14)
C15—C161.337 (15)C56—H560.9300
C15—H150.9300C57—C581.365 (17)
C16—C171.366 (15)C57—H570.9300
C16—H160.9300C58—C591.342 (16)
C17—C181.406 (12)C58—H580.9300
C17—H170.9300C59—C601.383 (12)
C18—H180.9300C59—H590.9300
C19—C201.380 (9)C60—H600.9300
C19—C241.387 (9)B1—F31.283 (15)
C20—C211.399 (10)B1—F21.288 (15)
C20—H200.9300B1—F41.329 (15)
C21—C221.386 (12)B1—F11.444 (18)
C21—H210.9300B2—F51.285 (12)
C22—C231.351 (12)B2—F61.314 (14)
C22—H220.9300B2—F81.352 (12)
C23—C241.392 (10)B2—F71.366 (13)
C23—H230.9300C61—Cl21.732 (10)
C24—H240.9300C61—Cl11.751 (10)
C25—C301.375 (10)C61—H61A0.9700
C25—C261.382 (10)C61—H61B0.9700
C26—C271.373 (12)C62—Cl31.728 (14)
C26—H260.9300C62—Cl41.762 (14)
C27—C281.380 (14)C62—H62A0.9700
C27—H270.9300C62—H62B0.9700
C28—C291.346 (13)C63—Cl51.708 (15)
C28—H280.9300C63—Cl61.738 (14)
C29—C301.398 (11)C63—H63A0.9700
C29—H290.9300C63—H63B0.9700
N1—Cu1—P3118.66 (17)C28—C29—C30120.5 (9)
N1—Cu1—P1115.59 (17)C28—C29—H29119.7
P3—Cu1—P1122.10 (7)C30—C29—H29119.7
N2—Cu2—P2116.50 (18)C25—C30—C29120.2 (8)
N2—Cu2—P4111.90 (18)C25—C30—H30119.9
P2—Cu2—P4129.66 (7)C29—C30—H30119.9
C13—P1—C19105.0 (3)C32—C31—C36117.6 (8)
C13—P1—C1105.3 (3)C32—C31—P2119.0 (6)
C19—P1—C1103.3 (3)C36—C31—P2123.4 (6)
C13—P1—Cu1117.8 (2)C31—C32—C33121.5 (9)
C19—P1—Cu1102.7 (2)C31—C32—H32119.2
C1—P1—Cu1120.6 (2)C33—C32—H32119.2
C25—P2—C1107.6 (3)C34—C33—C32120.4 (10)
C25—P2—C31105.6 (3)C34—C33—H33119.8
C1—P2—C31100.5 (3)C32—C33—H33119.8
C25—P2—Cu2117.0 (2)C35—C34—C33118.2 (9)
C1—P2—Cu2115.5 (2)C35—C34—H34120.9
C31—P2—Cu2108.9 (2)C33—C34—H34120.9
C43—P3—C37104.6 (3)C34—C35—C36121.0 (10)
C43—P3—C2105.2 (3)C34—C35—H35119.5
C37—P3—C2103.8 (3)C36—C35—H35119.5
C43—P3—Cu1104.3 (2)C31—C36—C35121.3 (9)
C37—P3—Cu1120.8 (2)C31—C36—H36119.4
C2—P3—Cu1116.5 (2)C35—C36—H36119.4
C55—P4—C49104.8 (3)C38—C37—C42118.6 (7)
C55—P4—C2103.5 (3)C38—C37—P3120.4 (5)
C49—P4—C2106.3 (3)C42—C37—P3121.0 (5)
C55—P4—Cu2107.5 (2)C37—C38—C39121.3 (7)
C49—P4—Cu2116.4 (2)C37—C38—H38119.4
C2—P4—Cu2117.0 (2)C39—C38—H38119.4
C3—N1—C7115.7 (6)C40—C39—C38120.1 (8)
C3—N1—Cu1124.9 (5)C40—C39—H39120.0
C7—N1—Cu1119.5 (5)C38—C39—H39120.0
C8—N2—C12116.0 (6)C39—C40—C41119.8 (8)
C8—N2—Cu2121.9 (5)C39—C40—H40120.1
C12—N2—Cu2122.0 (5)C41—C40—H40120.1
P2—C1—P1116.7 (3)C40—C41—C42120.5 (8)
P2—C1—H1A108.1C40—C41—H41119.8
P1—C1—H1A108.1C42—C41—H41119.8
P2—C1—H1B108.1C37—C42—C41119.7 (7)
P1—C1—H1B108.1C37—C42—H42120.1
H1A—C1—H1B107.3C41—C42—H42120.1
P4—C2—P3111.3 (3)C44—C43—C48117.9 (6)
P4—C2—H2A109.4C44—C43—P3124.3 (5)
P3—C2—H2A109.4C48—C43—P3117.7 (5)
P4—C2—H2B109.4C43—C44—C45119.6 (8)
P3—C2—H2B109.4C43—C44—H44120.2
H2A—C2—H2B108.0C45—C44—H44120.2
N1—C3—C4123.4 (7)C46—C45—C44121.1 (8)
N1—C3—H3118.3C46—C45—H45119.4
C4—C3—H3118.3C44—C45—H45119.4
C5—C4—C3120.9 (7)C47—C46—C45119.8 (8)
C5—C4—H4119.6C47—C46—H46120.1
C3—C4—H4119.6C45—C46—H46120.1
C4—C5—C6115.9 (6)C46—C47—C48120.5 (8)
C4—C5—C5i123.0 (8)C46—C47—H47119.8
C6—C5—C5i121.1 (8)C48—C47—H47119.8
C7—C6—C5120.4 (7)C47—C48—C43121.1 (8)
C7—C6—H6119.8C47—C48—H48119.5
C5—C6—H6119.8C43—C48—H48119.5
N1—C7—C6123.8 (7)C50—C49—C54118.6 (7)
N1—C7—H7118.1C50—C49—P4119.4 (6)
C6—C7—H7118.1C54—C49—P4122.0 (6)
N2—C8—C9123.9 (8)C49—C50—C51120.5 (9)
N2—C8—H8118.1C49—C50—H50119.8
C9—C8—H8118.1C51—C50—H50119.8
C10—C9—C8120.3 (8)C52—C51—C50120.9 (9)
C10—C9—H9119.8C52—C51—H51119.5
C8—C9—H9119.8C50—C51—H51119.5
C11—C10—C9115.3 (6)C51—C52—C53120.1 (9)
C11—C10—C10ii123.8 (8)C51—C52—H52119.9
C9—C10—C10ii120.9 (8)C53—C52—H52119.9
C10—C11—C12121.4 (7)C52—C53—C54120.2 (9)
C10—C11—H11119.3C52—C53—H53119.9
C12—C11—H11119.3C54—C53—H53119.9
N2—C12—C11123.0 (7)C49—C54—C53119.6 (8)
N2—C12—H12118.5C49—C54—H54120.2
C11—C12—H12118.5C53—C54—H54120.2
C18—C13—C14118.4 (7)C56—C55—C60117.6 (8)
C18—C13—P1122.4 (6)C56—C55—P4118.8 (6)
C14—C13—P1119.2 (6)C60—C55—P4123.1 (6)
C15—C14—C13120.2 (9)C55—C56—C57119.0 (10)
C15—C14—H14119.9C55—C56—H56120.5
C13—C14—H14119.9C57—C56—H56120.5
C16—C15—C14121.3 (9)C58—C57—C56121.0 (10)
C16—C15—H15119.3C58—C57—H57119.5
C14—C15—H15119.3C56—C57—H57119.5
C15—C16—C17120.5 (9)C59—C58—C57120.5 (11)
C15—C16—H16119.7C59—C58—H58119.7
C17—C16—H16119.7C57—C58—H58119.7
C16—C17—C18119.8 (10)C58—C59—C60119.7 (11)
C16—C17—H17120.1C58—C59—H59120.2
C18—C17—H17120.1C60—C59—H59120.2
C13—C18—C17119.7 (9)C59—C60—C55122.1 (9)
C13—C18—H18120.1C59—C60—H60119.0
C17—C18—H18120.1C55—C60—H60119.0
C20—C19—C24117.5 (6)F3—B1—F2113.8 (13)
C20—C19—P1124.9 (5)F3—B1—F4112.0 (13)
C24—C19—P1117.4 (5)F2—B1—F4117.5 (14)
C19—C20—C21121.5 (7)F3—B1—F1112.6 (14)
C19—C20—H20119.3F2—B1—F198.0 (12)
C21—C20—H20119.3F4—B1—F1101.4 (12)
C22—C21—C20119.6 (8)F5—B2—F6112.8 (11)
C22—C21—H21120.2F5—B2—F8111.8 (10)
C20—C21—H21120.2F6—B2—F8111.0 (11)
C23—C22—C21119.3 (7)F5—B2—F7110.1 (11)
C23—C22—H22120.3F6—B2—F799.9 (10)
C21—C22—H22120.3F8—B2—F7110.7 (10)
C22—C23—C24121.2 (8)Cl2—C61—Cl1116.6 (10)
C22—C23—H23119.4Cl2—C61—H61A108.1
C24—C23—H23119.4Cl1—C61—H61A108.1
C19—C24—C23120.9 (7)Cl2—C61—H61B108.1
C19—C24—H24119.5Cl1—C61—H61B108.1
C23—C24—H24119.5H61A—C61—H61B107.3
C30—C25—C26118.0 (7)Cl3—C62—Cl4109.8 (7)
C30—C25—P2124.2 (5)Cl3—C62—H62A109.7
C26—C25—P2117.8 (6)Cl4—C62—H62A109.7
C27—C26—C25121.9 (9)Cl3—C62—H62B109.7
C27—C26—H26119.1Cl4—C62—H62B109.7
C25—C26—H26119.1H62A—C62—H62B108.2
C26—C27—C28119.1 (8)Cl5—C63—Cl6110.0 (8)
C26—C27—H27120.5Cl5—C63—H63A109.7
C28—C27—H27120.5Cl6—C63—H63A109.7
C29—C28—C27120.3 (8)Cl5—C63—H63B109.7
C29—C28—H28119.9Cl6—C63—H63B109.7
C27—C28—H28119.9H63A—C63—H63B108.2
N1—Cu1—P1—C13−29.2 (3)C21—C22—C23—C240.6 (13)
P3—Cu1—P1—C13172.7 (2)C20—C19—C24—C23−0.4 (11)
N1—Cu1—P1—C1985.5 (3)P1—C19—C24—C23174.5 (6)
P3—Cu1—P1—C19−72.6 (2)C22—C23—C24—C19−0.4 (12)
N1—Cu1—P1—C1−160.3 (3)C1—P2—C25—C3014.4 (7)
P3—Cu1—P1—C141.5 (2)C31—P2—C25—C30−92.2 (7)
N2—Cu2—P2—C2516.8 (3)Cu2—P2—C25—C30146.4 (6)
P4—Cu2—P2—C25179.5 (2)C1—P2—C25—C26−166.7 (6)
N2—Cu2—P2—C1145.1 (3)C31—P2—C25—C2686.7 (6)
P4—Cu2—P2—C1−52.2 (3)Cu2—P2—C25—C26−34.7 (7)
N2—Cu2—P2—C31−102.8 (3)C30—C25—C26—C27−0.3 (12)
P4—Cu2—P2—C3159.9 (2)P2—C25—C26—C27−179.3 (7)
N1—Cu1—P3—C43−102.8 (3)C25—C26—C27—C280.2 (14)
P1—Cu1—P3—C4354.7 (2)C26—C27—C28—C29−0.4 (16)
N1—Cu1—P3—C3714.2 (3)C27—C28—C29—C300.7 (16)
P1—Cu1—P3—C37171.8 (2)C26—C25—C30—C290.6 (13)
N1—Cu1—P3—C2141.7 (3)P2—C25—C30—C29179.5 (7)
P1—Cu1—P3—C2−60.8 (2)C28—C29—C30—C25−0.9 (15)
N2—Cu2—P4—C5572.7 (3)C25—P2—C31—C32−143.4 (8)
P2—Cu2—P4—C55−90.6 (3)C1—P2—C31—C32104.9 (8)
N2—Cu2—P4—C49−44.3 (3)Cu2—P2—C31—C32−16.9 (8)
P2—Cu2—P4—C49152.4 (3)C25—P2—C31—C3640.8 (8)
N2—Cu2—P4—C2−171.5 (3)C1—P2—C31—C36−71.0 (8)
P2—Cu2—P4—C225.2 (3)Cu2—P2—C31—C36167.3 (7)
P3—Cu1—N1—C367.7 (6)C36—C31—C32—C331.0 (17)
P1—Cu1—N1—C3−91.2 (6)P2—C31—C32—C33−175.1 (10)
P3—Cu1—N1—C7−111.2 (6)C31—C32—C33—C34−2 (2)
P1—Cu1—N1—C789.8 (7)C32—C33—C34—C352 (2)
P2—Cu2—N2—C8−90.5 (6)C33—C34—C35—C360 (2)
P4—Cu2—N2—C8103.8 (6)C32—C31—C36—C350.5 (17)
P2—Cu2—N2—C1293.0 (6)P2—C31—C36—C35176.4 (10)
P4—Cu2—N2—C12−72.7 (6)C34—C35—C36—C31−1 (2)
C25—P2—C1—P187.8 (4)C43—P3—C37—C38118.7 (6)
C31—P2—C1—P1−162.0 (4)C2—P3—C37—C38−131.2 (6)
Cu2—P2—C1—P1−45.0 (4)Cu1—P3—C37—C381.8 (7)
C13—P1—C1—P2−74.7 (4)C43—P3—C37—C42−62.0 (6)
C19—P1—C1—P2175.5 (3)C2—P3—C37—C4248.1 (6)
Cu1—P1—C1—P261.7 (4)Cu1—P3—C37—C42−178.9 (5)
C55—P4—C2—P3−167.7 (4)C42—C37—C38—C390.5 (12)
C49—P4—C2—P3−57.6 (4)P3—C37—C38—C39179.8 (6)
Cu2—P4—C2—P374.4 (4)C37—C38—C39—C40−0.7 (14)
C43—P3—C2—P4−161.3 (3)C38—C39—C40—C410.0 (14)
C37—P3—C2—P489.1 (4)C39—C40—C41—C420.8 (14)
Cu1—P3—C2—P4−46.3 (4)C38—C37—C42—C410.3 (11)
C7—N1—C3—C4−0.1 (11)P3—C37—C42—C41−179.0 (6)
Cu1—N1—C3—C4−179.1 (6)C40—C41—C42—C37−1.0 (13)
N1—C3—C4—C50.4 (12)C37—P3—C43—C44116.2 (6)
C3—C4—C5—C6−0.9 (11)C2—P3—C43—C447.2 (7)
C3—C4—C5—C5i−179.5 (8)Cu1—P3—C43—C44−116.0 (6)
C4—C5—C6—C71.2 (14)C37—P3—C43—C48−66.9 (6)
C5i—C5—C6—C7179.8 (9)C2—P3—C43—C48−175.9 (5)
C3—N1—C7—C60.4 (14)Cu1—P3—C43—C4860.9 (5)
Cu1—N1—C7—C6179.5 (8)C48—C43—C44—C45−0.9 (11)
C5—C6—C7—N1−1.0 (17)P3—C43—C44—C45176.0 (6)
C12—N2—C8—C90.5 (13)C43—C44—C45—C461.2 (13)
Cu2—N2—C8—C9−176.2 (7)C44—C45—C46—C47−1.1 (14)
N2—C8—C9—C100.9 (15)C45—C46—C47—C480.8 (13)
C8—C9—C10—C11−2.4 (13)C46—C47—C48—C43−0.6 (12)
C8—C9—C10—C10ii177.1 (9)C44—C43—C48—C470.6 (10)
C9—C10—C11—C122.5 (12)P3—C43—C48—C47−176.5 (6)
C10ii—C10—C11—C12−177.0 (9)C55—P4—C49—C50−134.3 (6)
C8—N2—C12—C11−0.4 (12)C2—P4—C49—C50116.4 (6)
Cu2—N2—C12—C11176.3 (6)Cu2—P4—C49—C50−15.8 (7)
C10—C11—C12—N2−1.2 (13)C55—P4—C49—C5445.5 (7)
C19—P1—C13—C1833.3 (7)C2—P4—C49—C54−63.7 (7)
C1—P1—C13—C18−75.4 (6)Cu2—P4—C49—C54164.0 (5)
Cu1—P1—C13—C18146.8 (5)C54—C49—C50—C51−0.1 (12)
C19—P1—C13—C14−146.3 (6)P4—C49—C50—C51179.7 (7)
C1—P1—C13—C14105.0 (6)C49—C50—C51—C521.3 (15)
Cu1—P1—C13—C14−32.8 (6)C50—C51—C52—C53−2.0 (17)
C18—C13—C14—C15−0.4 (11)C51—C52—C53—C541.6 (16)
P1—C13—C14—C15179.1 (6)C50—C49—C54—C53−0.3 (12)
C13—C14—C15—C161.2 (14)P4—C49—C54—C53179.8 (6)
C14—C15—C16—C17−0.7 (16)C52—C53—C54—C49−0.4 (14)
C15—C16—C17—C18−0.5 (16)C49—P4—C55—C5652.9 (7)
C14—C13—C18—C17−0.7 (11)C2—P4—C55—C56164.2 (7)
P1—C13—C18—C17179.7 (7)Cu2—P4—C55—C56−71.4 (7)
C16—C17—C18—C131.2 (14)C49—P4—C55—C60−135.1 (7)
C13—P1—C19—C20−116.5 (6)C2—P4—C55—C60−23.9 (7)
C1—P1—C19—C20−6.4 (7)Cu2—P4—C55—C60100.6 (7)
Cu1—P1—C19—C20119.8 (6)C60—C55—C56—C57−0.2 (13)
C13—P1—C19—C2469.0 (6)P4—C55—C56—C57172.2 (8)
C1—P1—C19—C24179.1 (5)C55—C56—C57—C581.9 (18)
Cu1—P1—C19—C24−54.7 (5)C56—C57—C58—C59−2 (2)
C24—C19—C20—C211.1 (11)C57—C58—C59—C600 (2)
P1—C19—C20—C21−173.4 (6)C58—C59—C60—C552.2 (16)
C19—C20—C21—C22−0.9 (13)C56—C55—C60—C59−1.8 (13)
C20—C21—C22—C230.0 (13)P4—C55—C60—C59−173.9 (8)
Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x+1, −y+1, −z+1.
Selected geometric parameters (Å, º) top
Cu1—N12.018 (5)Cu2—N22.022 (5)
Cu1—P32.2329 (18)Cu2—P22.2397 (19)
Cu1—P12.2515 (18)Cu2—P42.2505 (19)
N1—Cu1—P3118.66 (17)N2—Cu2—P2116.50 (18)
N1—Cu1—P1115.59 (17)N2—Cu2—P4111.90 (18)
P3—Cu1—P1122.10 (7)P2—Cu2—P4129.66 (7)
Acknowledgements top

We thank Henan Agricultural University and Heilongjiang August First Land Reclamation University for the generous support of this study.

references
References top

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