supplementary materials


bt2684 scheme

Acta Cryst. (2008). E64, m641    [ doi:10.1107/S1600536808008696 ]

Poly[bis[chloridocopper(I)]-[mu]4-1,4-bis[1-(3-pyridylmethyl)-1H-benzimidazol-2-yl]butane]

W.-P. Zhang, Y.-Y. Liu and J.-F. Ma

Abstract top

The title CuI coordination polymer, [Cu2Cl2(C30H28N6)]n, was obtained by reaction of CuCl2·2H2O and 1,4-bis[1-(3-pyridylmethyl)-1H-benzimidazol-2-yl]butane. Each CuI cation is three-coordinated by a ClN2 donor set. The anion acts as a tetradentate ligand, linking CuI centres into a polymeric chain.

Comment top

As shown in Fig. 1, three are two crystallographically unique Cu ions, and each CuI ion is three-coordinated by one Cl- anion and two nitrogen atoms from two L anions. Each L anion in (I) coordinates to four CuI cations through its two imidazole N atoms and two pyridine N atoms, thus acing as a tetradentate ligand. The CuI cations are linked by L anions to form a chain along a axis. For a related compound, see Wang & Xu (2007).

Related literature top

For a related compound, see Wang & Xu (2007). For details of the synthesis, see: Li et al. (2007).

Experimental top

The ligand was synthesized according to the literature (Li et al., 2007) but 4-(chloromethyl)pyridine was replaced by 3-(chloromethyl)pyridine. A mixture of CuCl2.2H2O (0.034 g, 2 mmol), H2L (0.945 g, 2 mmol), and water (8 ml) was sealed in a Teflon reactor (15 ml) and heated at 130 °C for 3 days. After the mixture had been cooled to room temperature at 10 °C.h-1, red crystals of the title compound were obtained.

Refinement top

All H-atoms bound to carbon were refined using a riding model with d(C—H) = 0.93 Å, Uiso=1.2Ueq (C) for aromatic and 0.97 Å, Uiso = 1.5Ueq (C) for CH2 atoms.

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL-Plus (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. A view of the title compound. Displacement ellipsoids are drawn at the 30% probability level. [Symmetry codes: (i) -x + 2, -y + 2, -z; (ii) -x + 1, -y + 2, -z.]
poly[bis[chloridocopper(I)]-µ4- 1,4-bis[1-(3-pyridylmethyl)-1H-benzimidazol-2-yl]butane] top
Crystal data top
[Cu2Cl2(C30H28N6)]F000 = 1368
Mr = 670.56Dx = 1.536 Mg m3
Monoclinic, P21/nMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 3170 reflections
a = 9.4792 (11) Åθ = 1.7–28.3º
b = 17.810 (2) ŵ = 1.68 mm1
c = 17.326 (2) ÅT = 293 (2) K
β = 97.412 (2)ºBlock, red
V = 2900.5 (6) Å30.23 × 0.20 × 0.09 mm
Z = 4
Data collection top
Bruker APEX CCD area-detector
diffractometer
6759 independent reflections
Radiation source: fine-focus sealed tube3170 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.062
T = 293(2) Kθmax = 28.3º
ω scansθmin = 1.7º
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 11→12
Tmin = 0.66, Tmax = 0.84k = 19→23
17514 measured reflectionsl = 22→22
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.054H-atom parameters constrained
wR(F2) = 0.186  w = 1/[σ2(Fo2) + (0.0872P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.97(Δ/σ)max = 0.001
6759 reflectionsΔρmax = 0.42 e Å3
361 parametersΔρmin = 0.43 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Cu2Cl2(C30H28N6)]V = 2900.5 (6) Å3
Mr = 670.56Z = 4
Monoclinic, P21/nMo Kα
a = 9.4792 (11) ŵ = 1.68 mm1
b = 17.810 (2) ÅT = 293 (2) K
c = 17.326 (2) Å0.23 × 0.20 × 0.09 mm
β = 97.412 (2)º
Data collection top
Bruker APEX CCD area-detector
diffractometer
6759 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
3170 reflections with I > 2σ(I)
Tmin = 0.66, Tmax = 0.84Rint = 0.062
17514 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.054361 parameters
wR(F2) = 0.186H-atom parameters constrained
S = 0.97Δρmax = 0.42 e Å3
6759 reflectionsΔρmin = 0.43 e Å3
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*/Ueq
Cu10.74531 (8)0.80687 (4)0.14462 (4)0.0609 (2)
Cu20.78422 (7)0.87957 (4)0.16694 (4)0.0574 (2)
C10.7866 (5)0.9707 (3)0.1746 (3)0.0456 (12)
C20.7040 (5)0.9140 (3)0.2683 (3)0.0460 (12)
C30.7232 (5)0.9888 (3)0.2904 (3)0.0474 (12)
C40.6930 (6)1.0155 (4)0.3612 (3)0.0660 (16)
H40.70931.06520.37640.079*
C50.6365 (7)0.9631 (4)0.4082 (3)0.083 (2)
H50.61310.97830.45630.099*
C60.6141 (7)0.8894 (4)0.3856 (3)0.081 (2)
H60.57300.85670.41810.097*
C70.6507 (6)0.8627 (3)0.3163 (3)0.0646 (16)
H70.63990.81230.30260.078*
C80.8373 (6)0.9869 (3)0.0976 (3)0.0552 (14)
H8A0.89160.94420.08280.066*
H8B0.90031.03000.10330.066*
C90.7150 (5)1.0027 (3)0.0326 (3)0.0493 (12)
H9A0.65470.95870.02430.059*
H9B0.65771.04380.04790.059*
C100.7729 (5)1.0226 (3)0.0425 (3)0.0581 (14)
H10A0.83180.98170.05680.070*
H10B0.83251.06690.03380.070*
C110.6556 (6)1.0379 (3)0.1096 (3)0.0559 (14)
H11A0.58211.00000.10930.067*
H11B0.61301.08630.10160.067*
C120.7078 (5)1.0375 (3)0.1868 (3)0.0466 (12)
C130.8090 (5)1.0002 (3)0.2879 (3)0.0452 (12)
C140.7697 (5)1.0753 (3)0.3012 (3)0.0499 (13)
C150.7930 (7)1.1126 (3)0.3687 (3)0.0685 (17)
H150.76351.16190.37810.082*
C160.8612 (8)1.0735 (4)0.4208 (4)0.082 (2)
H160.88051.09720.46610.099*
C170.9024 (7)0.9993 (4)0.4079 (3)0.0748 (19)
H170.94840.97450.44470.090*
C180.8765 (6)0.9618 (3)0.3416 (3)0.0589 (14)
H180.90380.91190.33340.071*
C190.6695 (6)1.1750 (3)0.2180 (3)0.0558 (14)
H19A0.58941.17550.18830.067*
H19B0.64171.20190.26630.067*
C200.7944 (6)1.2145 (3)0.1722 (3)0.0521 (13)
C210.7711 (7)1.2767 (4)0.1289 (4)0.0792 (19)
H210.67901.29320.12580.095*
C220.8856 (9)1.3143 (4)0.0902 (4)0.095 (2)
H220.87071.35720.06170.114*
C231.0253 (7)1.2885 (4)0.0931 (4)0.0750 (18)
H231.10171.31440.06640.090*
C240.9395 (6)1.1933 (3)0.1734 (3)0.0620 (15)
H240.95821.15260.20420.074*
C250.7993 (5)1.1051 (3)0.2233 (3)0.0497 (13)
H25A0.88341.11400.19810.060*
H25B0.81601.12660.27510.060*
C260.6735 (5)1.1438 (3)0.1775 (3)0.0447 (12)
C270.6887 (6)1.1899 (3)0.1157 (3)0.0600 (15)
H270.77891.20030.10270.072*
C280.5706 (6)1.2209 (4)0.0727 (4)0.0742 (18)
H280.58001.25320.03150.089*
C290.4405 (6)1.2033 (3)0.0918 (3)0.0619 (15)
H290.36061.22310.06190.074*
C300.5386 (6)1.1306 (3)0.1931 (3)0.0533 (13)
H300.52701.09990.23520.064*
N10.7676 (4)0.9779 (2)0.2158 (2)0.0484 (10)
N20.7044 (4)1.0974 (2)0.2354 (2)0.0491 (11)
N30.7773 (4)1.0246 (2)0.2295 (2)0.0459 (10)
N40.7451 (4)0.9039 (2)0.1955 (2)0.0489 (10)
N50.4217 (5)1.1587 (3)0.1516 (3)0.0584 (12)
N61.0488 (5)1.2277 (2)0.1335 (3)0.0610 (12)
Cl10.60349 (16)0.71402 (8)0.10540 (9)0.0659 (4)
Cl20.93594 (16)0.80208 (9)0.10598 (10)0.0758 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0632 (5)0.0542 (4)0.0644 (5)0.0018 (3)0.0055 (4)0.0063 (3)
Cu20.0579 (5)0.0523 (4)0.0641 (4)0.0078 (3)0.0158 (3)0.0094 (3)
C10.033 (3)0.057 (3)0.047 (3)0.005 (2)0.007 (2)0.002 (3)
C20.040 (3)0.050 (3)0.049 (3)0.002 (2)0.007 (2)0.008 (2)
C30.048 (3)0.057 (3)0.038 (3)0.005 (2)0.007 (2)0.002 (2)
C40.074 (4)0.071 (4)0.053 (3)0.007 (3)0.009 (3)0.007 (3)
C50.100 (5)0.105 (6)0.047 (3)0.014 (4)0.019 (3)0.004 (4)
C60.098 (6)0.088 (5)0.058 (4)0.019 (4)0.014 (4)0.017 (4)
C70.071 (4)0.059 (4)0.062 (4)0.011 (3)0.000 (3)0.001 (3)
C80.053 (3)0.061 (3)0.053 (3)0.002 (3)0.013 (3)0.002 (3)
C90.049 (3)0.059 (3)0.040 (3)0.002 (3)0.007 (2)0.000 (2)
C100.051 (3)0.076 (4)0.051 (3)0.004 (3)0.018 (3)0.003 (3)
C110.058 (4)0.065 (4)0.047 (3)0.006 (3)0.016 (3)0.001 (3)
C120.043 (3)0.051 (3)0.046 (3)0.000 (2)0.008 (2)0.003 (2)
C130.039 (3)0.054 (3)0.043 (3)0.005 (2)0.008 (2)0.000 (2)
C140.047 (3)0.051 (3)0.053 (3)0.002 (2)0.011 (3)0.001 (2)
C150.075 (4)0.066 (4)0.069 (4)0.004 (3)0.022 (3)0.021 (3)
C160.110 (6)0.084 (5)0.059 (4)0.009 (4)0.033 (4)0.025 (3)
C170.088 (5)0.091 (5)0.051 (3)0.003 (4)0.032 (3)0.001 (3)
C180.058 (4)0.059 (4)0.061 (3)0.004 (3)0.012 (3)0.010 (3)
C190.052 (3)0.047 (3)0.067 (4)0.007 (3)0.005 (3)0.002 (3)
C200.060 (4)0.044 (3)0.052 (3)0.007 (3)0.004 (3)0.001 (2)
C210.064 (4)0.075 (4)0.100 (5)0.004 (3)0.014 (4)0.025 (4)
C220.105 (6)0.076 (5)0.101 (5)0.026 (4)0.002 (5)0.041 (4)
C230.067 (4)0.069 (4)0.088 (5)0.002 (3)0.004 (4)0.016 (4)
C240.054 (4)0.055 (3)0.079 (4)0.005 (3)0.016 (3)0.017 (3)
C250.050 (3)0.048 (3)0.050 (3)0.005 (2)0.005 (3)0.001 (2)
C260.045 (3)0.039 (3)0.050 (3)0.001 (2)0.007 (2)0.005 (2)
C270.048 (3)0.060 (4)0.073 (4)0.002 (3)0.014 (3)0.012 (3)
C280.053 (4)0.086 (4)0.084 (4)0.003 (3)0.007 (3)0.039 (4)
C290.048 (4)0.061 (4)0.077 (4)0.005 (3)0.009 (3)0.020 (3)
C300.050 (4)0.054 (3)0.058 (3)0.003 (3)0.015 (3)0.012 (3)
N10.053 (3)0.047 (2)0.046 (2)0.001 (2)0.008 (2)0.003 (2)
N20.051 (3)0.046 (3)0.052 (3)0.001 (2)0.014 (2)0.000 (2)
N30.043 (3)0.052 (3)0.042 (2)0.0028 (19)0.0033 (19)0.002 (2)
N40.044 (3)0.050 (3)0.054 (3)0.004 (2)0.011 (2)0.000 (2)
N50.054 (3)0.057 (3)0.065 (3)0.008 (2)0.011 (2)0.013 (2)
N60.057 (3)0.049 (3)0.076 (3)0.002 (2)0.008 (3)0.016 (2)
Cl10.0595 (9)0.0634 (9)0.0718 (9)0.0083 (7)0.0024 (7)0.0051 (7)
Cl20.0494 (9)0.0694 (10)0.1084 (12)0.0091 (7)0.0093 (8)0.0271 (9)
Geometric parameters (Å, °) top
Cu1—N41.940 (4)C14—N21.423 (6)
Cu1—N6i2.079 (5)C15—C161.367 (8)
Cu1—Cl12.1836 (16)C15—H150.9300
Cu2—N11.942 (4)C16—C171.387 (8)
Cu2—N5ii2.116 (4)C16—H160.9300
Cu2—Cl22.1672 (16)C17—C181.378 (7)
C1—N41.318 (6)C17—H170.9300
C1—N31.363 (6)C18—H180.9300
C1—C81.502 (7)C19—N21.462 (6)
C2—C71.375 (7)C19—C201.510 (7)
C2—N41.379 (6)C19—H19A0.9700
C2—C31.391 (7)C19—H19B0.9700
C3—C41.380 (7)C20—C211.372 (8)
C3—N31.385 (6)C20—C241.429 (7)
C4—C51.390 (8)C21—C221.374 (9)
C4—H40.9300C21—H210.9300
C5—C61.379 (8)C22—C231.408 (9)
C5—H50.9300C22—H220.9300
C6—C71.376 (8)C23—N61.324 (7)
C6—H60.9300C23—H230.9300
C7—H70.9300C24—N61.319 (7)
C8—C91.535 (7)C24—H240.9300
C8—H8A0.9700C25—N31.455 (6)
C8—H8B0.9700C25—C261.511 (7)
C9—C101.517 (6)C25—H25A0.9700
C9—H9A0.9700C25—H25B0.9700
C9—H9B0.9700C26—C301.361 (7)
C10—C111.526 (7)C26—C271.373 (7)
C10—H10A0.9700C27—C281.377 (8)
C10—H10B0.9700C27—H270.9300
C11—C121.485 (6)C28—C291.355 (7)
C11—H11A0.9700C28—H280.9300
C11—H11B0.9700C29—N51.335 (6)
C12—N11.332 (6)C29—H290.9300
C12—N21.357 (6)C30—N51.338 (6)
C13—C181.379 (6)C30—H300.9300
C13—C141.399 (7)N5—Cu2ii2.116 (4)
C13—N11.414 (6)N6—Cu1i2.079 (5)
C14—C151.387 (7)
N4—Cu1—N6i111.23 (18)C18—C17—C16121.3 (5)
N4—Cu1—Cl1141.19 (13)C18—C17—H17119.3
N6i—Cu1—Cl1107.12 (13)C16—C17—H17119.3
N1—Cu2—N5ii108.71 (17)C17—C18—C13118.0 (5)
N1—Cu2—Cl2142.93 (13)C17—C18—H18121.0
N5ii—Cu2—Cl2107.36 (13)C13—C18—H18121.0
N4—C1—N3113.3 (4)N2—C19—C20111.4 (4)
N4—C1—C8123.9 (5)N2—C19—H19A109.3
N3—C1—C8122.8 (5)C20—C19—H19A109.3
C7—C2—N4129.4 (5)N2—C19—H19B109.3
C7—C2—C3121.1 (5)C20—C19—H19B109.3
N4—C2—C3109.5 (4)H19A—C19—H19B108.0
C4—C3—N3131.1 (5)C21—C20—C24116.3 (5)
C4—C3—C2122.6 (5)C21—C20—C19119.5 (5)
N3—C3—C2106.3 (4)C24—C20—C19124.1 (5)
C3—C4—C5115.4 (6)C20—C21—C22119.2 (6)
C3—C4—H4122.3C20—C21—H21120.4
C5—C4—H4122.3C22—C21—H21120.4
C6—C5—C4122.0 (6)C21—C22—C23120.7 (6)
C6—C5—H5119.0C21—C22—H22119.7
C4—C5—H5119.0C23—C22—H22119.7
C7—C6—C5122.0 (6)N6—C23—C22120.6 (6)
C7—C6—H6119.0N6—C23—H23119.7
C5—C6—H6119.0C22—C23—H23119.7
C2—C7—C6116.8 (5)N6—C24—C20124.2 (5)
C2—C7—H7121.6N6—C24—H24117.9
C6—C7—H7121.6C20—C24—H24117.9
C1—C8—C9112.9 (4)N3—C25—C26112.2 (4)
C1—C8—H8A109.0N3—C25—H25A109.2
C9—C8—H8A109.0C26—C25—H25A109.2
C1—C8—H8B109.0N3—C25—H25B109.2
C9—C8—H8B109.0C26—C25—H25B109.2
H8A—C8—H8B107.8H25A—C25—H25B107.9
C10—C9—C8110.5 (4)C30—C26—C27117.0 (5)
C10—C9—H9A109.5C30—C26—C25121.1 (5)
C8—C9—H9A109.5C27—C26—C25121.8 (5)
C10—C9—H9B109.5C26—C27—C28120.1 (5)
C8—C9—H9B109.5C26—C27—H27120.0
H9A—C9—H9B108.1C28—C27—H27120.0
C9—C10—C11112.7 (4)C29—C28—C27118.6 (5)
C9—C10—H10A109.0C29—C28—H28120.7
C11—C10—H10A109.0C27—C28—H28120.7
C9—C10—H10B109.0N5—C29—C28123.0 (5)
C11—C10—H10B109.0N5—C29—H29118.5
H10A—C10—H10B107.8C28—C29—H29118.5
C12—C11—C10113.0 (4)N5—C30—C26124.3 (5)
C12—C11—H11A109.0N5—C30—H30117.8
C10—C11—H11A109.0C26—C30—H30117.8
C12—C11—H11B109.0C12—N1—C13106.8 (4)
C10—C11—H11B109.0C12—N1—Cu2124.7 (3)
H11A—C11—H11B107.8C13—N1—Cu2128.5 (3)
N1—C12—N2111.8 (4)C12—N2—C14107.5 (4)
N1—C12—C11123.4 (4)C12—N2—C19127.1 (4)
N2—C12—C11124.8 (5)C14—N2—C19124.1 (4)
C18—C13—C14120.0 (5)C1—N3—C3105.7 (4)
C18—C13—N1131.5 (5)C1—N3—C25128.3 (4)
C14—C13—N1108.5 (4)C3—N3—C25125.5 (4)
C15—C14—C13122.0 (5)C1—N4—C2105.2 (4)
C15—C14—N2132.5 (5)C1—N4—Cu1131.3 (3)
C13—C14—N2105.5 (4)C2—N4—Cu1123.3 (3)
C16—C15—C14116.9 (5)C29—N5—C30117.0 (5)
C16—C15—H15121.5C29—N5—Cu2ii120.4 (4)
C14—C15—H15121.5C30—N5—Cu2ii121.7 (4)
C15—C16—C17121.7 (5)C24—N6—C23118.9 (5)
C15—C16—H16119.1C24—N6—Cu1i119.8 (4)
C17—C16—H16119.1C23—N6—Cu1i121.0 (4)
C7—C2—C3—C41.2 (8)C18—C13—N1—C12179.1 (5)
N4—C2—C3—C4179.0 (5)C14—C13—N1—C120.9 (5)
C7—C2—C3—N3179.8 (5)C18—C13—N1—Cu23.1 (8)
N4—C2—C3—N30.0 (5)C14—C13—N1—Cu2176.9 (3)
N3—C3—C4—C5178.9 (5)N5ii—Cu2—N1—C1257.7 (4)
C2—C3—C4—C52.4 (8)Cl2—Cu2—N1—C12108.5 (4)
C3—C4—C5—C60.8 (10)N5ii—Cu2—N1—C13119.7 (4)
C4—C5—C6—C72.2 (11)Cl2—Cu2—N1—C1374.1 (5)
N4—C2—C7—C6178.0 (6)N1—C12—N2—C141.1 (6)
C3—C2—C7—C61.8 (8)C11—C12—N2—C14177.4 (5)
C5—C6—C7—C23.4 (10)N1—C12—N2—C19168.9 (5)
N4—C1—C8—C984.5 (6)C11—C12—N2—C199.6 (8)
N3—C1—C8—C994.6 (6)C15—C14—N2—C12178.7 (6)
C1—C8—C9—C10177.0 (5)C13—C14—N2—C120.5 (5)
C8—C9—C10—C11179.2 (4)C15—C14—N2—C1913.0 (9)
C9—C10—C11—C12164.8 (5)C13—C14—N2—C19168.7 (5)
C10—C11—C12—N161.0 (7)C20—C19—N2—C1279.5 (6)
C10—C11—C12—N2117.3 (6)C20—C19—N2—C1486.5 (6)
C18—C13—C14—C151.8 (8)N4—C1—N3—C30.8 (5)
N1—C13—C14—C15178.2 (5)C8—C1—N3—C3178.3 (4)
C18—C13—C14—N2179.7 (4)N4—C1—N3—C25173.0 (4)
N1—C13—C14—N20.2 (5)C8—C1—N3—C256.2 (8)
C13—C14—C15—C162.3 (9)C4—C3—N3—C1179.4 (6)
N2—C14—C15—C16179.7 (6)C2—C3—N3—C10.5 (5)
C14—C15—C16—C171.5 (10)C4—C3—N3—C258.2 (8)
C15—C16—C17—C180.1 (11)C2—C3—N3—C25172.9 (4)
C16—C17—C18—C130.5 (9)C26—C25—N3—C177.3 (6)
C14—C13—C18—C170.4 (8)C26—C25—N3—C393.5 (5)
N1—C13—C18—C17179.7 (5)N3—C1—N4—C20.8 (5)
N2—C19—C20—C21158.4 (5)C8—C1—N4—C2178.4 (5)
N2—C19—C20—C2424.6 (7)N3—C1—N4—Cu1176.0 (3)
C24—C20—C21—C220.1 (9)C8—C1—N4—Cu14.9 (7)
C19—C20—C21—C22177.1 (6)C7—C2—N4—C1179.3 (5)
C20—C21—C22—C231.5 (11)C3—C2—N4—C10.4 (5)
C21—C22—C23—N60.3 (11)C7—C2—N4—Cu13.6 (7)
C21—C20—C24—N62.8 (9)C3—C2—N4—Cu1176.7 (3)
C19—C20—C24—N6179.9 (5)N6i—Cu1—N4—C163.3 (5)
N3—C25—C26—C3048.3 (6)Cl1—Cu1—N4—C1126.0 (4)
N3—C25—C26—C27127.6 (5)N6i—Cu1—N4—C2113.0 (4)
C30—C26—C27—C280.4 (8)Cl1—Cu1—N4—C257.7 (5)
C25—C26—C27—C28176.4 (5)C28—C29—N5—C300.6 (9)
C26—C27—C28—C291.6 (9)C28—C29—N5—Cu2ii170.4 (5)
C27—C28—C29—N51.7 (10)C26—C30—N5—C290.7 (8)
C27—C26—C30—N50.8 (8)C26—C30—N5—Cu2ii169.0 (4)
C25—C26—C30—N5175.2 (5)C20—C24—N6—C234.1 (9)
N2—C12—N1—C131.2 (6)C20—C24—N6—Cu1i177.5 (4)
C11—C12—N1—C13177.3 (5)C22—C23—N6—C242.5 (9)
N2—C12—N1—Cu2176.7 (3)C22—C23—N6—Cu1i175.8 (5)
C11—C12—N1—Cu24.8 (7)
Symmetry codes: (i) −x+2, −y+2, −z; (ii) −x+1, −y+2, −z.
Table 1
Selected geometric parameters (Å, °)
top
Cu1—N41.940 (4)Cu2—N11.942 (4)
Cu1—N6i2.079 (5)Cu2—N5ii2.116 (4)
Cu1—Cl12.1836 (16)Cu2—Cl22.1672 (16)
N4—Cu1—N6i111.23 (18)N1—Cu2—N5ii108.71 (17)
N4—Cu1—Cl1141.19 (13)N1—Cu2—Cl2142.93 (13)
N6i—Cu1—Cl1107.12 (13)N5ii—Cu2—Cl2107.36 (13)
Symmetry codes: (i) −x+2, −y+2, −z; (ii) −x+1, −y+2, −z.
Acknowledgements top

We thank the Analysis and Testing Foundation of Northeast Normal University for support.

references
References top

Bruker (1999). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.

Li, S.-L., Liu, J. & Ma, J.-F. (2007). Acta Cryst. E63, o4509.

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

Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.

Wang, W.-J. & Xu, L. (2007). Acta Cryst. E63, m1993–m1994.