Literature DB >> 21200468

Dibromidotetra-kis(1H-indazole-κN)copper(II).

Moayad Hossaini Sadr, Behzad Soltani, Shan Gao, Seik Weng Ng.   

Abstract

The Cu atom in the title compound, [CuBr(2)(C(7)H(6)N(2))(4)], is surrounded by four N-heterocycles that define an N(4) square-planar geometry. The coordination geometry is distorted towards an elongated octa-hedron owing to the presence of the two Br(-) anions, which are located at about 3 Å above and below the square plane. There are two independent molecules in the asymmetric unit, each with their Cu atom lying on an inversion centre.

Entities:  

Year:  2007        PMID: 21200468      PMCID: PMC2915062          DOI: 10.1107/S1600536807062940

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For related structures, see Hossaini Sadr et al. (2004 ▶, 2005 ▶, 2006 ▶). For related literature, see: Allen (2002 ▶).

Experimental

Crystal data

[CuBr2(C7H6N2)4] M = 695.91 Triclinic, a = 10.338 (1) Å b = 10.923 (1) Å c = 13.730 (1) Å α = 72.545 (3)° β = 77.329 (3)° γ = 73.890 (3)° V = 1405.3 (3) Å3 Z = 2 Mo Kα radiation μ = 3.65 mm−1 T = 295 (2) K 0.24 × 0.21 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID diffractometer Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.073, T max = 0.668 13779 measured reflections 6389 independent reflections 2895 reflections with I > 2σ(I) R int = 0.046

Refinement

R[F 2 > 2σ(F 2)] = 0.061 wR(F 2) = 0.228 S = 1.13 6389 reflections 356 parameters 12 restraints H-atom parameters constrained Δρmax = 0.65 e Å−3 Δρmin = −1.00 e Å−3 Data collection: RAPID-AUTO (Rigaku Corporation, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2007 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807062940/tk2226sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536807062940/tk2226Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[CuBr2(C7H6N2)4]Z = 2
Mr = 695.91F000 = 694
Triclinic, P1Dx = 1.645 Mg m3
Hall symbol: -P 1Mo Kα radiation λ = 0.71073 Å
a = 10.338 (1) ÅCell parameters from 7166 reflections
b = 10.923 (1) Åθ = 3.2–27.5º
c = 13.730 (1) ŵ = 3.65 mm1
α = 72.545 (3)ºT = 295 (2) K
β = 77.329 (3)ºPrism, blue
γ = 73.890 (3)º0.24 × 0.21 × 0.12 mm
V = 1405.3 (3) Å3
Rigaku R-AXIS RAPID diffractometer6389 independent reflections
Radiation source: fine-focus sealed tube2895 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.046
Detector resolution: 10.000 pixels mm-1θmax = 27.5º
T = 295(2) Kθmin = 3.2º
ω scansh = −13→13
Absorption correction: multi-scan(ABSCOR; Higashi, 1995)k = −11→14
Tmin = 0.073, Tmax = 0.668l = −17→17
13779 measured reflections
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.061H-atom parameters constrained
wR(F2) = 0.228  w = 1/[σ2(Fo2) + (0.1018P)2 + 0.0608P] where P = (Fo2 + 2Fc2)/3
S = 1.13(Δ/σ)max = 0.001
6389 reflectionsΔρmax = 0.65 e Å3
356 parametersΔρmin = −1.00 e Å3
12 restraintsExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.008 (2)
xyzUiso*/Ueq
Br10.62566 (10)0.25866 (8)0.41676 (7)0.1011 (4)
Br2−0.25176 (8)0.40169 (7)1.09777 (6)0.0840 (3)
Cu10.50000.50000.50000.0843 (5)
Cu20.00000.50001.00000.1230 (8)
N10.5411 (5)0.3924 (6)0.6427 (4)0.0636 (14)
N20.5199 (6)0.4347 (6)0.7267 (5)0.0774 (16)
H2N0.48770.51550.72910.093*
N30.3196 (6)0.4493 (7)0.5367 (4)0.0748 (17)
N40.2108 (6)0.5102 (6)0.5891 (5)0.0803 (17)
H4N0.20710.57970.60780.096*
N50.0567 (9)0.3532 (6)0.9272 (5)0.093 (2)
N60.1763 (9)0.3169 (7)0.8743 (6)0.100 (2)
H6N0.24080.35790.86040.120*
N7−0.0951 (9)0.6246 (6)0.8816 (5)0.090 (2)
N8−0.0317 (7)0.7102 (6)0.8075 (5)0.0885 (19)
H8N0.05140.71410.80310.106*
C10.5920 (6)0.2639 (6)0.6683 (4)0.0569 (15)
H10.61700.21060.62260.068*
C20.6029 (6)0.2195 (6)0.7719 (5)0.0591 (15)
C30.6478 (8)0.0951 (8)0.8374 (6)0.084 (2)
H30.68010.02060.81200.101*
C40.6428 (7)0.0863 (9)0.9382 (6)0.090 (3)
H40.66830.00380.98280.108*
C50.6006 (8)0.1974 (10)0.9777 (6)0.091 (3)
H50.60170.18811.04710.109*
C60.5577 (7)0.3201 (9)0.9148 (6)0.086 (2)
H60.52960.39450.94040.103*
C70.5573 (6)0.3298 (6)0.8111 (4)0.0592 (15)
C80.2874 (6)0.3499 (7)0.5225 (5)0.0630 (16)
H80.34600.29060.48710.076*
C90.1562 (6)0.3431 (7)0.5663 (4)0.0604 (16)
C100.0743 (8)0.2577 (8)0.5751 (6)0.086 (2)
H100.10710.18620.54610.104*
C11−0.0530 (8)0.2800 (9)0.6261 (7)0.091 (2)
H11−0.10820.22290.63270.109*
C12−0.1034 (7)0.3866 (9)0.6692 (6)0.084 (2)
H12−0.19230.40040.70350.101*
C13−0.0257 (7)0.4712 (8)0.6621 (6)0.0763 (19)
H13−0.05990.54200.69190.092*
C140.1048 (6)0.4501 (6)0.6102 (5)0.0581 (15)
C15−0.0112 (7)0.2676 (7)0.9321 (5)0.0622 (16)
H15−0.10010.27040.96580.075*
C160.0607 (6)0.1736 (6)0.8832 (5)0.0578 (15)
C170.0283 (10)0.0657 (9)0.8687 (7)0.096 (3)
H17−0.05710.04720.89450.116*
C180.1251 (14)−0.0105 (9)0.8162 (8)0.108 (3)
H180.1061−0.08430.80690.130*
C190.2487 (11)0.0154 (10)0.7764 (7)0.104 (3)
H190.3122−0.04100.74080.124*
C200.2836 (7)0.1224 (9)0.7868 (6)0.088 (2)
H200.36840.14090.75770.105*
C210.1863 (6)0.2026 (6)0.8430 (4)0.0564 (14)
C22−0.2200 (10)0.6462 (7)0.8630 (6)0.086 (2)
H22−0.28510.59990.90220.103*
C23−0.2393 (9)0.7522 (7)0.7731 (6)0.080 (2)
C24−0.3451 (10)0.8178 (9)0.7148 (8)0.103 (3)
H24−0.42860.79420.73280.124*
C25−0.3207 (13)0.9197 (9)0.6288 (7)0.112 (3)
H25−0.39000.96530.58930.135*
C26−0.1982 (13)0.9552 (10)0.6004 (7)0.113 (3)
H26−0.18661.02400.54230.135*
C27−0.0951 (11)0.8941 (8)0.6536 (6)0.104 (3)
H27−0.01210.91870.63460.124*
C28−0.1185 (9)0.7895 (7)0.7408 (6)0.080 (2)
U11U22U33U12U13U23
Br10.1416 (8)0.0637 (6)0.0882 (6)0.0001 (5)−0.0230 (5)−0.0221 (4)
Br20.0917 (6)0.0649 (5)0.0874 (6)−0.0117 (4)−0.0083 (4)−0.0166 (4)
Cu10.0608 (7)0.1132 (11)0.0637 (7)−0.0366 (7)−0.0251 (6)0.0265 (7)
Cu20.232 (2)0.0513 (8)0.0766 (8)0.0341 (10)−0.0776 (11)−0.0246 (6)
N10.054 (3)0.085 (4)0.051 (3)−0.021 (3)−0.012 (2)−0.007 (3)
N20.070 (3)0.069 (4)0.083 (4)−0.011 (3)−0.020 (3)−0.003 (3)
N30.064 (3)0.086 (5)0.057 (3)−0.012 (3)−0.015 (3)0.007 (3)
N40.087 (4)0.073 (4)0.080 (4)−0.021 (3)−0.021 (3)−0.011 (3)
N50.134 (6)0.056 (4)0.067 (4)0.023 (4)−0.027 (4)−0.016 (3)
N60.151 (7)0.067 (4)0.097 (5)−0.041 (5)−0.055 (5)−0.002 (4)
N70.151 (6)0.042 (3)0.072 (4)0.002 (4)−0.044 (4)−0.010 (3)
N80.122 (5)0.058 (4)0.089 (4)−0.008 (4)−0.050 (4)−0.011 (3)
C10.064 (3)0.054 (4)0.045 (3)−0.007 (3)−0.014 (3)−0.004 (3)
C20.058 (3)0.056 (4)0.058 (3)−0.009 (3)−0.009 (3)−0.011 (3)
C30.097 (5)0.059 (4)0.084 (5)−0.008 (4)−0.021 (4)−0.005 (4)
C40.077 (5)0.095 (6)0.070 (5)−0.010 (4)−0.021 (4)0.018 (4)
C50.083 (5)0.121 (8)0.055 (4)−0.018 (5)−0.016 (4)−0.005 (5)
C60.078 (5)0.100 (6)0.072 (5)−0.009 (4)−0.011 (4)−0.023 (4)
C70.055 (3)0.069 (4)0.047 (3)−0.013 (3)−0.009 (3)−0.004 (3)
C80.051 (3)0.066 (4)0.063 (4)−0.004 (3)−0.003 (3)−0.017 (3)
C90.051 (3)0.073 (4)0.053 (3)−0.018 (3)−0.009 (3)−0.006 (3)
C100.084 (5)0.081 (5)0.103 (6)−0.026 (4)−0.009 (4)−0.034 (4)
C110.076 (5)0.098 (7)0.106 (6)−0.042 (5)−0.028 (5)−0.005 (5)
C120.059 (4)0.092 (6)0.079 (5)−0.015 (4)−0.001 (4)0.002 (4)
C130.068 (4)0.070 (5)0.082 (5)−0.005 (4)−0.006 (4)−0.020 (4)
C140.049 (3)0.063 (4)0.060 (3)−0.025 (3)−0.007 (3)0.000 (3)
C150.062 (4)0.061 (4)0.056 (3)0.000 (3)−0.006 (3)−0.017 (3)
C160.059 (3)0.052 (4)0.057 (3)−0.010 (3)−0.013 (3)−0.006 (3)
C170.118 (6)0.086 (6)0.096 (6)−0.060 (6)−0.028 (5)0.001 (5)
C180.166 (10)0.056 (5)0.117 (8)−0.011 (6)−0.058 (8)−0.029 (5)
C190.123 (8)0.086 (7)0.094 (6)0.031 (6)−0.044 (6)−0.042 (5)
C200.065 (4)0.117 (7)0.077 (5)−0.011 (4)−0.011 (4)−0.026 (5)
C210.072 (4)0.044 (3)0.054 (3)−0.011 (3)−0.016 (3)−0.012 (3)
C220.120 (7)0.055 (5)0.073 (5)0.004 (4)−0.014 (5)−0.023 (4)
C230.112 (6)0.055 (4)0.068 (4)0.009 (4)−0.030 (4)−0.022 (3)
C240.106 (6)0.098 (7)0.104 (6)0.011 (5)−0.028 (5)−0.045 (5)
C250.153 (9)0.082 (7)0.087 (6)0.032 (6)−0.064 (7)−0.020 (5)
C260.161 (10)0.084 (7)0.074 (5)0.010 (7)−0.030 (7)−0.020 (5)
C270.156 (8)0.059 (5)0.087 (5)−0.005 (5)−0.038 (6)−0.009 (4)
C280.118 (6)0.050 (4)0.069 (4)−0.003 (4)−0.035 (4)−0.012 (3)
Cu1—N12.027 (5)C6—H60.9300
Cu1—N32.008 (6)C8—C91.370 (8)
Cu1—Br13.033 (1)C8—H80.9300
Cu2—N52.024 (7)C9—C101.389 (10)
Cu2—N72.023 (6)C9—C141.395 (9)
Cu2—Br22.980 (1)C10—C111.342 (11)
Cu1—N3i2.008 (6)C10—H100.9300
Cu1—N1i2.027 (5)C11—C121.385 (12)
Cu2—N7ii2.023 (6)C11—H110.9300
Cu2—N5ii2.024 (7)C12—C131.354 (12)
N1—N21.320 (8)C12—H120.9300
N1—C11.321 (8)C13—C141.374 (8)
N2—C71.400 (8)C13—H130.9300
N2—H2N0.8600C15—C161.352 (9)
N3—C81.298 (9)C15—H150.9300
N3—N41.320 (8)C16—C211.378 (8)
N4—C141.364 (8)C16—C171.389 (10)
N4—H4N0.8600C17—C181.340 (13)
N5—C151.295 (10)C17—H170.9300
N5—N61.312 (9)C18—C191.347 (13)
N6—C211.409 (9)C18—H180.9300
N6—H6N0.8600C19—C201.368 (13)
N7—C221.315 (10)C19—H190.9300
N7—N81.347 (9)C20—C211.397 (10)
N8—C281.359 (9)C20—H200.9300
N8—H8N0.8600C22—C231.424 (10)
C1—C21.377 (8)C22—H220.9300
C1—H10.9300C23—C281.362 (11)
C2—C71.388 (9)C23—C241.399 (12)
C2—C31.404 (9)C24—C251.391 (13)
C3—C41.348 (11)C24—H240.9300
C3—H30.9300C25—C261.368 (14)
C4—C51.398 (12)C25—H250.9300
C4—H40.9300C26—C271.330 (13)
C5—C61.372 (11)C26—H260.9300
C5—H50.9300C27—C281.415 (11)
C6—C71.396 (9)C27—H270.9300
N3—Cu1—N3i180.0 (4)C5—C6—C7118.0 (8)
N3—Cu1—N188.2 (2)C5—C6—H6121.0
N3i—Cu1—N191.8 (2)C7—C6—H6121.0
N3—Cu1—N1i91.8 (2)C2—C7—C6121.1 (6)
N3i—Cu1—N1i88.2 (2)C2—C7—N2104.9 (6)
N1—Cu1—N1i180.00 (16)C6—C7—N2133.9 (7)
N3—Cu1—Br1i90.3 (2)N3—C8—C9111.5 (6)
N3i—Cu1—Br1i89.7 (2)N3—C8—H8124.2
N1—Cu1—Br1i89.84 (18)C9—C8—H8124.2
N1i—Cu1—Br1i90.16 (18)C8—C9—C10134.8 (7)
N3—Cu1—Br189.7 (2)C8—C9—C14105.7 (6)
N3i—Cu1—Br190.3 (2)C10—C9—C14119.6 (6)
N1—Cu1—Br190.16 (18)C11—C10—C9119.0 (8)
N1i—Cu1—Br189.84 (18)C11—C10—H10120.5
Br1i—Cu1—Br1180.00 (3)C9—C10—H10120.5
N7ii—Cu2—N7180.000 (2)C10—C11—C12121.1 (7)
N7ii—Cu2—N5ii91.3 (2)C10—C11—H11119.5
N7—Cu2—N5ii88.7 (2)C12—C11—H11119.5
N7ii—Cu2—N588.7 (2)C13—C12—C11121.2 (7)
N7—Cu2—N591.3 (2)C13—C12—H12119.4
N5ii—Cu2—N5180.000 (2)C11—C12—H12119.4
N7ii—Cu2—Br289.4 (2)C12—C13—C14118.6 (8)
N7—Cu2—Br290.6 (2)C12—C13—H13120.7
N5ii—Cu2—Br292.4 (3)C14—C13—H13120.7
N5—Cu2—Br287.6 (3)N4—C14—C13135.3 (7)
N7ii—Cu2—Br2ii90.6 (2)N4—C14—C9104.2 (5)
N7—Cu2—Br2ii89.4 (2)C13—C14—C9120.6 (6)
N5ii—Cu2—Br2ii87.6 (3)N5—C15—C16112.9 (6)
N5—Cu2—Br2ii92.4 (3)N5—C15—H15123.6
Br2—Cu2—Br2ii180.00 (3)C16—C15—H15123.6
N2—N1—C1107.6 (5)C15—C16—C21106.6 (6)
N2—N1—Cu1127.4 (5)C15—C16—C17132.2 (7)
C1—N1—Cu1125.0 (5)C21—C16—C17121.2 (7)
N1—N2—C7110.5 (6)C18—C17—C16117.3 (8)
N1—N2—H2N124.8C18—C17—H17121.3
C7—N2—H2N124.8C16—C17—H17121.3
C8—N3—N4106.6 (6)C17—C18—C19122.6 (9)
C8—N3—Cu1129.2 (5)C17—C18—H18118.7
N4—N3—Cu1124.0 (6)C19—C18—H18118.7
N3—N4—C14112.1 (6)C18—C19—C20121.9 (8)
N3—N4—H4N124.0C18—C19—H19119.1
C14—N4—H4N124.0C20—C19—H19119.1
C15—N5—N6105.9 (6)C19—C20—C21117.1 (7)
C15—N5—Cu2127.4 (6)C19—C20—H20121.5
N6—N5—Cu2126.4 (7)C21—C20—H20121.5
N5—N6—C21111.7 (7)C16—C21—C20119.8 (6)
N5—N6—H6N124.1C16—C21—N6102.9 (6)
C21—N6—H6N124.1C20—C21—N6137.2 (7)
C22—N7—N8108.1 (6)N7—C22—C23108.8 (8)
C22—N7—Cu2131.1 (6)N7—C22—H22125.6
N8—N7—Cu2120.6 (6)C23—C22—H22125.6
N7—N8—C28110.0 (7)C28—C23—C24118.2 (8)
N7—N8—H8N125.0C28—C23—C22105.7 (7)
C28—N8—H8N125.0C24—C23—C22136.1 (10)
N1—C1—C2110.9 (6)C25—C24—C23117.5 (10)
N1—C1—H1124.6C25—C24—H24121.2
C2—C1—H1124.6C23—C24—H24121.2
C1—C2—C7106.1 (5)C26—C25—C24122.1 (9)
C1—C2—C3134.0 (7)C26—C25—H25119.0
C7—C2—C3119.9 (6)C24—C25—H25119.0
C4—C3—C2118.4 (8)C27—C26—C25121.9 (10)
C4—C3—H3120.8C27—C26—H26119.0
C2—C3—H3120.8C25—C26—H26119.0
C3—C4—C5122.1 (7)C26—C27—C28116.4 (10)
C3—C4—H4119.0C26—C27—H27121.8
C5—C4—H4119.0C28—C27—H27121.8
C6—C5—C4120.4 (7)N8—C28—C23107.4 (7)
C6—C5—H5119.8N8—C28—C27128.8 (9)
C4—C5—H5119.8C23—C28—C27123.8 (8)
N3—Cu1—N1—N2−93.9 (5)C5—C6—C7—N2179.1 (7)
N3i—Cu1—N1—N286.1 (5)N1—N2—C7—C2−0.1 (7)
Br1i—Cu1—N1—N2−3.6 (5)N1—N2—C7—C6178.9 (7)
Br1—Cu1—N1—N2176.4 (5)N4—N3—C8—C9−0.4 (8)
N3—Cu1—N1—C184.4 (5)Cu1—N3—C8—C9174.8 (4)
N3i—Cu1—N1—C1−95.6 (5)N3—C8—C9—C10−178.6 (8)
Br1i—Cu1—N1—C1174.6 (5)N3—C8—C9—C140.5 (7)
Br1—Cu1—N1—C1−5.4 (5)C8—C9—C10—C11178.9 (7)
C1—N1—N2—C7−0.5 (7)C14—C9—C10—C11−0.2 (11)
Cu1—N1—N2—C7178.0 (4)C9—C10—C11—C120.4 (13)
N1—Cu1—N3—C8−91.4 (6)C10—C11—C12—C13−0.7 (13)
N1i—Cu1—N3—C888.6 (6)C11—C12—C13—C140.7 (12)
Br1i—Cu1—N3—C8178.8 (6)N3—N4—C14—C13178.6 (7)
Br1—Cu1—N3—C8−1.2 (6)N3—N4—C14—C90.3 (7)
N1—Cu1—N3—N483.0 (5)C12—C13—C14—N4−178.6 (7)
N1i—Cu1—N3—N4−97.0 (5)C12—C13—C14—C9−0.5 (10)
Br1i—Cu1—N3—N4−6.8 (5)C8—C9—C14—N4−0.5 (7)
Br1—Cu1—N3—N4173.2 (5)C10—C9—C14—N4178.9 (6)
C8—N3—N4—C140.1 (7)C8—C9—C14—C13−179.1 (6)
Cu1—N3—N4—C14−175.4 (4)C10—C9—C14—C130.2 (10)
N7ii—Cu2—N5—C1591.4 (7)N6—N5—C15—C16−0.1 (8)
N7—Cu2—N5—C15−88.6 (7)Cu2—N5—C15—C16−173.3 (4)
Br2—Cu2—N5—C152.0 (6)N5—C15—C16—C21−0.2 (8)
Br2ii—Cu2—N5—C15−178.0 (6)N5—C15—C16—C17−179.4 (7)
N7ii—Cu2—N5—N6−80.5 (6)C15—C16—C17—C18−179.4 (8)
N7—Cu2—N5—N699.5 (6)C21—C16—C17—C181.5 (11)
Br2—Cu2—N5—N6−170.0 (6)C16—C17—C18—C19−1.3 (14)
Br2ii—Cu2—N5—N610.0 (6)C17—C18—C19—C20−0.2 (15)
C15—N5—N6—C210.3 (8)C18—C19—C20—C211.5 (13)
Cu2—N5—N6—C21173.7 (4)C15—C16—C21—C20−179.5 (6)
N5ii—Cu2—N7—C22−92.2 (7)C17—C16—C21—C20−0.2 (10)
N5—Cu2—N7—C2287.8 (7)C15—C16—C21—N60.4 (7)
Br2—Cu2—N7—C220.3 (7)C17—C16—C21—N6179.7 (6)
Br2ii—Cu2—N7—C22−179.7 (7)C19—C20—C21—C16−1.3 (11)
N5ii—Cu2—N7—N883.4 (6)C19—C20—C21—N6178.9 (7)
N5—Cu2—N7—N8−96.6 (6)N5—N6—C21—C16−0.4 (7)
Br2—Cu2—N7—N8175.8 (5)N5—N6—C21—C20179.4 (8)
Br2ii—Cu2—N7—N8−4.2 (5)N8—N7—C22—C23−0.7 (8)
C22—N7—N8—C280.8 (8)Cu2—N7—C22—C23175.2 (5)
Cu2—N7—N8—C28−175.7 (5)N7—C22—C23—C280.4 (8)
N2—N1—C1—C20.9 (7)N7—C22—C23—C24178.5 (8)
Cu1—N1—C1—C2−177.6 (4)C28—C23—C24—C25−1.7 (11)
N1—C1—C2—C7−1.0 (7)C22—C23—C24—C25−179.7 (8)
N1—C1—C2—C3179.1 (7)C23—C24—C25—C260.6 (14)
C1—C2—C3—C4−179.0 (7)C24—C25—C26—C270.0 (15)
C7—C2—C3—C41.1 (11)C25—C26—C27—C280.5 (14)
C2—C3—C4—C5−3.0 (12)N7—N8—C28—C23−0.5 (8)
C3—C4—C5—C62.4 (12)N7—N8—C28—C27178.6 (7)
C4—C5—C6—C70.2 (11)C24—C23—C28—N8−178.4 (7)
C1—C2—C7—C6−178.5 (6)C22—C23—C28—N80.1 (8)
C3—C2—C7—C61.4 (10)C24—C23—C28—C272.4 (11)
C1—C2—C7—N20.6 (7)C22—C23—C28—C27−179.1 (7)
C3—C2—C7—N2−179.4 (6)C26—C27—C28—N8179.2 (8)
C5—C6—C7—C2−2.0 (10)C26—C27—C28—C23−1.7 (13)
Table 1

Selected bond lengths (Å)

Cu1—N12.027 (5)
Cu1—N32.008 (6)
Cu1—Br13.033 (1)
Cu2—N52.024 (7)
Cu2—N72.023 (6)
Cu2—Br22.980 (1)
  1 in total

1.  The Cambridge Structural Database: a quarter of a million crystal structures and rising.

Authors:  Frank H Allen
Journal:  Acta Crystallogr B       Date:  2002-05-29
  1 in total
  2 in total

1.  trans-Bis(thio-cyanato-κN)tetra-kis-(3,4,5-trimethyl-1H-pyrazole-κN)nickel(II)-3,4,5-trimethyl-1H-pyrazole (1/1).

Authors:  Moayad Hossaini Sadr; James T Engle; Christopher J Ziegler; Behzad Soltani; Zahra Mousavi
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-10-29

2.  Bis(4-methyl-3,5-diphenyl-1H-pyrazole-κN)silver(I) nitrate.

Authors:  Moayad Hossaini Sadr; Behzad Soltani; James T Engle; Christopher J Ziegler; M Kabirzadeh
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-05-20
  2 in total

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