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Acta Cryst. (2007). E63, m1621    [ doi:10.1107/S160053680702140X ]

Bis(tetra-n-butylammonium) tetrabromidozincate(II)

F.-X. Gao, W. Gu, Y.-S. Yang, J. Qian and S.-P. Yan

Abstract top

In the title complex, [(C4H9)4N]2[ZnBr4], the ZnII ion is coordinated by four Br atoms, forming a slightly distorted tetrahedral geometry. The Zn-Br bonds range from 2.3986 (11) to 2.4162 (11) Å and the Br-Zn-Br angles range from 106.59 (4) to 112.84 (4)°. One of the cations is disordered essentially equally over two orientations.

Comment top

In recent years, the crystal engineering of materials containing Zn(II) has become an intensively active field due to not only their structural diversity, but also their promising applications in the fields of catalysis, (Wang, Zhuang et al., 2007) medicine, magnetism, photochemistry, fluorescence (Yu et al., 2007; Zhang et al., 2007) and electrical chemistry (Liu et al., 2007; Tian et al., 2007; Wang, Moorefield et al., 2007). With this in mind, we have synthesized the title complex and its crystal structure is determined herein. The ZnII ion is coordinated by four Br atoms in a slightly distorted tetrhedral geometry. The asymmetric unit of (I) is shown in Fig. 1.

Related literature top

Some research related to zinc(II) compounds has already been published (Wang, Zhuang et al., 2007; Yu et al., 2007; Zhang et al., 2007; Liu et al., 2007; Tian et al., 2007; Wang, Moorefield et al., 2007).

Experimental top

A solution of ZnBr2 0.0207 g (0.1 mmol) in CH3CN (5 ml) was added to a solution of tacntp (0.1 mmol) (tacntp = 1,4,7-triazacyclononane-1,4,7-tripropionate) in CH3CN (15 ml). The reaction mixture was stirred at room temperature for 30 min. Then (C4H9)4N (0.1 mmol) was added to the solution. The reaction mixture was continuously stirred for 2 h at room temperature. Several months later, crystals suitable for X-ray diffraction were obtained by slow evaporation of the filtrate. Calculated for [(C4H9)4N]2[ZnBr4]: C 44.14, H 8.28, N 3.22, Br 32.65%; found: C 44.15, H 8.27, N3.24, Br 32.67%.

Refinement top

H atoms were placed in calculated positions with C—H = 0.96–0.97 Å and were included in the riding-motion approximation with Uiso(H) = 1.2Ueq(C) or 1.5Ueq(C) for methyl H atoms. In one of the cation molecules three C atoms are disordered over two sites with refined occupancies of 0.500 (16). The C—C bonds distances of the disorder components were restained to 1.54 (1) Å.

Computing details top

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

Figures top
[Figure 1] Fig. 1. The asymmtric unit of (I) shown with 30% displacement ellipsoids. The disorder is not showm.
Bis(tetra-n-butylammonium) tetrabromozincate(II) top
Crystal data top
[(C4H9)4N]2[ZnBr4]F(000) = 1792
Mr = 869.93Dx = 1.347 Mg m−3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 3229 reflections
a = 16.530 (2) Åθ = 1.4–26.4°
b = 15.4906 (18) ŵ = 4.32 mm−1
c = 18.657 (2) ÅT = 294 K
β = 116.133 (2)°Block, colourless
V = 4289.0 (9) Å30.22 × 0.20 × 0.16 mm
Z = 4
Data collection top
Bruker APEXII
diffractometer		8766 independent reflections
Radiation source: fine-focus sealed tube3455 reflections with I > 2σ(I)
graphiteRint = 0.079
φ and ω scansθmax = 26.4°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −20→20
Tmin = 0.399, Tmax = 0.500k = −14→19
24548 measured reflectionsl = −19→23
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)] = 0.050Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.161H-atom parameters constrained
S = 0.96 w = 1/[σ2(Fo2) + (0.0697P)2]
where P = (Fo2 + 2Fc2)/3
8766 reflections(Δ/σ)max = 0.001
371 parametersΔρmax = 0.50 e Å−3
106 restraintsΔρmin = −0.65 e Å−3
Crystal data top
[(C4H9)4N]2[ZnBr4]V = 4289.0 (9) Å3
Mr = 869.93Z = 4
Monoclinic, P21/nMo Kα radiation
a = 16.530 (2) ŵ = 4.32 mm−1
b = 15.4906 (18) ÅT = 294 K
c = 18.657 (2) Å0.22 × 0.20 × 0.16 mm
β = 116.133 (2)°
Data collection top
Bruker APEXII
diffractometer		3455 reflections with I > 2σ(I)
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		Rint = 0.079
Tmin = 0.399, Tmax = 0.500θmax = 26.4°
24548 measured reflectionsStandard reflections: 0
8766 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.050H-atom parameters constrained
wR(F2) = 0.161Δρmax = 0.50 e Å−3
S = 0.96Δρmin = −0.65 e Å−3
8766 reflectionsAbsolute structure: ?
371 parametersFlack parameter: ?
106 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)
Zn10.49076 (5)0.13616 (5)0.72626 (5)0.0547 (2)
Br10.57269 (6)0.25277 (5)0.70430 (5)0.0833 (3)
Br20.57414 (5)0.07205 (6)0.85543 (5)0.0858 (3)
Br30.35194 (6)0.19646 (5)0.71636 (6)0.0862 (3)
Br40.45436 (5)0.02280 (5)0.62795 (5)0.0744 (3)
N10.3318 (3)0.2229 (3)0.4325 (3)0.0540 (14)
N20.2736 (4)0.9413 (3)0.7667 (4)0.0663 (17)
C10.6498 (6)0.2236 (6)0.4602 (6)0.128 (4)
H1A0.71020.21020.49850.192*
H1B0.64600.28370.44630.192*
H1C0.63410.18910.41320.192*
C20.5864 (5)0.2049 (6)0.4955 (5)0.093 (3)
H2A0.59100.14420.50940.111*
H2B0.60490.23790.54440.111*
C30.4911 (5)0.2254 (5)0.4419 (5)0.080 (2)
H3A0.47040.18920.39460.096*
H3B0.48630.28510.42500.096*
C40.4325 (4)0.2106 (4)0.4837 (4)0.0573 (18)
H4A0.45180.24980.52880.069*
H4B0.44260.15230.50470.069*
C50.3112 (5)0.3131 (5)0.3960 (4)0.067 (2)
H5A0.34220.32010.36270.081*
H5B0.24710.31660.36140.081*
C60.3363 (5)0.3872 (5)0.4531 (5)0.094 (3)
H6A0.39810.38080.49330.113*
H6B0.29750.38850.47970.113*
C70.3262 (7)0.4708 (6)0.4068 (6)0.118 (3)
H7A0.36360.46710.37890.142*
H7B0.26410.47570.36690.142*
C80.3496 (10)0.5466 (8)0.4538 (8)0.210 (7)
H8A0.34210.59580.42020.316*
H8B0.41130.54300.49310.316*
H8C0.31130.55250.48000.316*
C90.0428 (6)0.2096 (6)0.4610 (6)0.126 (4)
H9A0.01930.21930.49910.189*
H9B0.02860.15180.44050.189*
H9C0.01630.25000.41790.189*
C100.1426 (5)0.2213 (5)0.5007 (5)0.085 (2)
H10A0.15650.27930.52210.103*
H10B0.16880.18120.54500.103*
C110.1841 (4)0.2070 (5)0.4452 (4)0.068 (2)
H11A0.16230.25090.40390.081*
H11B0.16480.15130.41950.081*
C120.2862 (4)0.2096 (4)0.4861 (4)0.0585 (19)
H12A0.30490.25560.52530.070*
H12B0.30780.15570.51480.070*
C130.2967 (5)0.1583 (5)0.3646 (4)0.071 (2)
H13A0.23280.16910.33320.085*
H13B0.32580.17030.33050.085*
C140.3083 (5)0.0645 (5)0.3845 (4)0.076 (2)
H14A0.37190.05040.41150.092*
H14B0.28130.05050.41990.092*
C150.2641 (7)0.0134 (6)0.3095 (5)0.120 (4)
H15A0.20280.03400.27940.144*
H15B0.29600.02320.27730.144*
C160.2618 (7)−0.0797 (7)0.3230 (6)0.148 (5)
H16A0.2315−0.10870.27260.223*
H16B0.2301−0.09010.35460.223*
H16C0.3222−0.10120.35050.223*
C170.5576 (8)0.7840 (8)0.8043 (7)0.176 (6)
H17A0.58680.72880.81850.263*
H17B0.59380.82650.84240.263*
H17C0.55040.80000.75210.263*
C180.4636 (8)0.7787 (7)0.8040 (7)0.141 (4)
H18A0.42760.73530.76580.170*
H18B0.47120.76060.85640.170*
C190.4140 (6)0.8633 (5)0.7832 (5)0.089 (3)
H19A0.45050.90720.82060.107*
H19B0.40460.88070.73020.107*
C200.3271 (5)0.8575 (4)0.7856 (5)0.078 (2)
H20A0.33720.83840.83840.094*
H20B0.29110.81390.74770.094*
C210.2545 (5)0.9748 (4)0.6845 (5)0.071 (2)
H21A0.22431.03010.67700.085*
H21B0.31160.98500.68300.085*
C220.1991 (5)0.9184 (5)0.6164 (5)0.086 (2)
H22A0.14310.90400.61860.104*
H22B0.23120.86520.61900.104*
C230.1789 (7)0.9655 (6)0.5384 (6)0.115 (3)
H23A0.15621.02240.54160.138*
H23B0.23560.97370.53550.138*
C240.1164 (8)0.9265 (8)0.4647 (7)0.166 (5)
H24A0.10990.96280.42070.249*
H24B0.05890.91980.46520.249*
H24C0.13870.87100.45900.249*
C250.3386 (7)1.1502 (6)0.9471 (6)0.127 (4)
H25A0.37341.19720.97970.191*
H25B0.28971.13740.95990.191*
H25C0.31511.16600.89180.191*
C260.3968 (6)1.0731 (6)0.9623 (5)0.096 (3)
H26A0.42001.05751.01820.115*
H26B0.44781.08760.95200.115*
C270.3496 (6)0.9970 (5)0.9126 (5)0.088 (3)
H27A0.29460.98630.91770.106*
H27B0.38770.94640.93210.106*
C280.3269 (5)1.0111 (4)0.8248 (5)0.067 (2)
H28A0.29331.06460.80780.081*
H28B0.38291.01890.82080.081*
C290.1874 (5)0.9230 (5)0.7726 (5)0.083 (3)
H29A0.15620.87690.73560.099*
H29B0.20270.90190.82600.099*
C300.1237 (6)0.9969 (6)0.7561 (7)0.114 (3)0.500 (16)
H30A0.11831.02510.70770.137*0.500 (16)
H30B0.15111.03820.79920.137*0.500 (16)
C310.0270 (9)0.9777 (17)0.7460 (11)0.127 (8)0.500 (16)
H31A−0.01481.02340.71720.152*0.500 (16)
H31B0.00440.92310.71910.152*0.500 (16)
C320.0444 (17)0.9742 (15)0.8335 (11)0.136 (9)0.500 (16)
H32A−0.01020.95850.83660.205*0.500 (16)
H32B0.06411.02980.85750.205*0.500 (16)
H32C0.09020.93210.86130.205*0.500 (16)
C30'0.1237 (6)0.9969 (6)0.7561 (7)0.114 (3)0.500 (16)
H30C0.09421.01010.69940.137*0.500 (16)
H30D0.15501.04810.78500.137*0.500 (16)
C32'−0.0040 (13)1.0404 (12)0.7878 (14)0.128 (9)0.500 (16)
H32D−0.04651.02030.80630.192*0.500 (16)
H32E−0.03581.06410.73520.192*0.500 (16)
H32F0.03361.08410.82340.192*0.500 (16)
C31'0.0545 (15)0.9649 (13)0.7856 (18)0.118 (7)0.500 (16)
H31C0.01670.92040.75010.141*0.500 (16)
H31D0.08610.94020.83860.141*0.500 (16)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0535 (5)0.0543 (5)0.0499 (5)−0.0035 (4)0.0170 (4)−0.0008 (4)
Br10.0844 (6)0.0921 (6)0.0646 (6)−0.0296 (5)0.0249 (4)−0.0038 (4)
Br20.0744 (6)0.0979 (7)0.0682 (6)−0.0048 (5)0.0159 (4)0.0198 (5)
Br30.0811 (6)0.0670 (5)0.1121 (8)0.0109 (4)0.0442 (5)0.0056 (5)
Br40.0878 (6)0.0639 (5)0.0726 (6)−0.0061 (4)0.0362 (5)−0.0105 (4)
N10.047 (3)0.073 (4)0.038 (3)0.001 (3)0.015 (3)0.007 (3)
N20.067 (4)0.045 (4)0.090 (5)−0.010 (3)0.037 (4)0.005 (3)
C10.084 (7)0.153 (10)0.156 (10)−0.011 (6)0.061 (7)−0.017 (8)
C20.062 (5)0.119 (7)0.100 (7)0.003 (5)0.038 (5)0.004 (5)
C30.058 (5)0.106 (6)0.077 (6)−0.003 (4)0.028 (5)0.003 (5)
C40.043 (4)0.067 (5)0.049 (4)−0.003 (3)0.008 (3)0.007 (3)
C50.058 (5)0.078 (6)0.048 (5)0.000 (4)0.008 (4)0.014 (4)
C60.083 (6)0.076 (6)0.102 (7)−0.008 (5)0.022 (5)0.004 (6)
C70.133 (9)0.069 (7)0.139 (10)−0.003 (6)0.047 (7)0.019 (7)
C80.32 (2)0.099 (10)0.189 (15)−0.028 (11)0.089 (14)−0.005 (9)
C90.075 (6)0.169 (10)0.161 (11)0.020 (6)0.077 (7)0.033 (8)
C100.083 (6)0.089 (6)0.094 (7)0.009 (5)0.048 (5)0.008 (5)
C110.057 (5)0.087 (6)0.063 (5)0.010 (4)0.029 (4)0.006 (4)
C120.054 (4)0.066 (5)0.051 (5)0.000 (4)0.019 (4)0.003 (4)
C130.057 (5)0.108 (7)0.041 (4)−0.006 (4)0.015 (4)−0.007 (4)
C140.082 (6)0.077 (6)0.061 (5)0.006 (4)0.024 (4)−0.003 (4)
C150.149 (9)0.104 (8)0.073 (7)0.001 (7)0.018 (6)−0.018 (6)
C160.183 (11)0.107 (9)0.114 (9)0.023 (8)0.027 (8)−0.026 (7)
C170.177 (13)0.215 (14)0.141 (11)0.101 (11)0.075 (10)0.013 (9)
C180.162 (11)0.134 (9)0.145 (11)0.064 (8)0.082 (9)0.038 (7)
C190.093 (7)0.074 (6)0.100 (7)0.017 (5)0.043 (5)0.006 (5)
C200.088 (6)0.053 (5)0.104 (7)0.008 (4)0.052 (5)0.015 (4)
C210.066 (5)0.059 (5)0.081 (6)−0.014 (4)0.027 (4)0.000 (4)
C220.072 (6)0.090 (6)0.101 (7)−0.016 (5)0.041 (5)−0.008 (6)
C230.113 (8)0.131 (9)0.078 (7)−0.041 (6)0.021 (6)−0.011 (6)
C240.158 (11)0.196 (13)0.118 (10)−0.036 (10)0.038 (9)−0.005 (9)
C250.132 (9)0.119 (9)0.140 (10)0.000 (7)0.069 (8)−0.035 (7)
C260.099 (7)0.111 (8)0.080 (7)0.005 (6)0.042 (5)0.001 (6)
C270.106 (7)0.079 (6)0.093 (7)0.002 (5)0.056 (6)0.003 (5)
C280.082 (5)0.052 (5)0.076 (6)−0.001 (4)0.042 (5)0.008 (4)
C290.078 (6)0.065 (5)0.131 (8)−0.013 (4)0.070 (6)0.002 (5)
C300.091 (5)0.122 (5)0.147 (6)−0.005 (4)0.068 (4)−0.003 (5)
C310.123 (10)0.134 (10)0.125 (11)0.006 (8)0.055 (8)0.008 (8)
C320.134 (12)0.143 (12)0.136 (12)−0.002 (8)0.063 (9)0.000 (8)
C30'0.091 (5)0.122 (5)0.147 (6)−0.005 (4)0.068 (4)−0.003 (5)
C32'0.119 (11)0.150 (12)0.131 (12)0.001 (8)0.070 (8)0.007 (8)
C31'0.109 (9)0.134 (10)0.126 (10)0.004 (8)0.067 (8)0.001 (8)
Geometric parameters (Å, °) top
Zn1—Br12.3986 (11)C16—H16A0.9600
Zn1—Br22.4014 (11)C16—H16B0.9600
Zn1—Br32.4082 (11)C16—H16C0.9600
Zn1—Br42.4162 (11)C17—C181.555 (13)
N1—C121.507 (8)C17—H17A0.9600
N1—C131.516 (8)C17—H17B0.9600
N1—C41.524 (7)C17—H17C0.9600
N1—C51.526 (8)C18—C191.503 (11)
N2—C291.502 (8)C18—H18A0.9700
N2—C281.509 (8)C18—H18B0.9700
N2—C211.515 (9)C19—C201.459 (10)
N2—C201.522 (8)C19—H19A0.9700
C1—C21.490 (11)C19—H19B0.9700
C1—H1A0.9600C20—H20A0.9700
C1—H1B0.9600C20—H20B0.9700
C1—H1C0.9600C21—C221.481 (9)
C2—C31.483 (9)C21—H21A0.9700
C2—H2A0.9700C21—H21B0.9700
C2—H2B0.9700C22—C231.526 (11)
C3—C41.503 (9)C22—H22A0.9700
C3—H3A0.9700C22—H22B0.9700
C3—H3B0.9700C23—C241.440 (12)
C4—H4A0.9700C23—H23A0.9700
C4—H4B0.9700C23—H23B0.9700
C5—C61.495 (10)C24—H24A0.9600
C5—H5A0.9700C24—H24B0.9600
C5—H5B0.9700C24—H24C0.9600
C6—C71.523 (11)C25—C261.480 (11)
C6—H6A0.9700C25—H25A0.9600
C6—H6B0.9700C25—H25B0.9600
C7—C81.414 (13)C25—H25C0.9600
C7—H7A0.9700C26—C271.489 (10)
C7—H7B0.9700C26—H26A0.9700
C8—H8A0.9600C26—H26B0.9700
C8—H8B0.9600C27—C281.527 (10)
C8—H8C0.9600C27—H27A0.9700
C9—C101.492 (10)C27—H27B0.9700
C9—H9A0.9600C28—H28A0.9700
C9—H9B0.9600C28—H28B0.9700
C9—H9C0.9600C29—C301.493 (10)
C10—C111.489 (9)C29—H29A0.9700
C10—H10A0.9700C29—H29B0.9700
C10—H10B0.9700C30—C311.555 (9)
C11—C121.515 (8)C30—H30A0.9700
C11—H11A0.9700C30—H30B0.9700
C11—H11B0.9700C31—C321.528 (10)
C12—H12A0.9700C31—H31A0.9700
C12—H12B0.9700C31—H31B0.9700
C13—C141.492 (9)C32—H32A0.9600
C13—H13A0.9700C32—H32B0.9600
C13—H13B0.9700C32—H32C0.9600
C14—C151.490 (10)C32'—C31'1.529 (10)
C14—H14A0.9700C32'—H32D0.9600
C14—H14B0.9700C32'—H32E0.9600
C15—C161.467 (11)C32'—H32F0.9600
C15—H15A0.9700C31'—H31C0.9700
C15—H15B0.9700C31'—H31D0.9700
Br1—Zn1—Br2111.42 (4)H16A—C16—H16B109.5
Br1—Zn1—Br3106.59 (4)C15—C16—H16C109.5
Br2—Zn1—Br3110.10 (4)H16A—C16—H16C109.5
Br1—Zn1—Br4112.84 (4)H16B—C16—H16C109.5
Br2—Zn1—Br4107.59 (4)C18—C17—H17A109.5
Br3—Zn1—Br4108.26 (4)C18—C17—H17B109.5
C12—N1—C13110.2 (5)H17A—C17—H17B109.5
C12—N1—C4107.2 (5)C18—C17—H17C109.5
C13—N1—C4110.6 (5)H17A—C17—H17C109.5
C12—N1—C5110.1 (5)H17B—C17—H17C109.5
C13—N1—C5107.7 (5)C19—C18—C17112.7 (9)
C4—N1—C5111.2 (5)C19—C18—H18A109.1
C29—N2—C28110.8 (6)C17—C18—H18A109.1
C29—N2—C21110.9 (6)C19—C18—H18B109.1
C28—N2—C21106.1 (5)C17—C18—H18B109.1
C29—N2—C20107.2 (5)H18A—C18—H18B107.8
C28—N2—C20110.4 (6)C20—C19—C18111.7 (8)
C21—N2—C20111.5 (6)C20—C19—H19A109.3
C2—C1—H1A109.5C18—C19—H19A109.3
C2—C1—H1B109.5C20—C19—H19B109.3
H1A—C1—H1B109.5C18—C19—H19B109.3
C2—C1—H1C109.5H19A—C19—H19B107.9
H1A—C1—H1C109.5C19—C20—N2114.9 (6)
H1B—C1—H1C109.5C19—C20—H20A108.6
C3—C2—C1114.0 (8)N2—C20—H20A108.6
C3—C2—H2A108.8C19—C20—H20B108.6
C1—C2—H2A108.8N2—C20—H20B108.6
C3—C2—H2B108.8H20A—C20—H20B107.5
C1—C2—H2B108.8C22—C21—N2116.2 (6)
H2A—C2—H2B107.7C22—C21—H21A108.2
C2—C3—C4110.7 (7)N2—C21—H21A108.2
C2—C3—H3A109.5C22—C21—H21B108.2
C4—C3—H3A109.5N2—C21—H21B108.2
C2—C3—H3B109.5H21A—C21—H21B107.4
C4—C3—H3B109.5C21—C22—C23109.2 (7)
H3A—C3—H3B108.1C21—C22—H22A109.8
C3—C4—N1115.6 (5)C23—C22—H22A109.8
C3—C4—H4A108.4C21—C22—H22B109.8
N1—C4—H4A108.4C23—C22—H22B109.8
C3—C4—H4B108.4H22A—C22—H22B108.3
N1—C4—H4B108.4C24—C23—C22118.2 (9)
H4A—C4—H4B107.4C24—C23—H23A107.8
C6—C5—N1116.6 (6)C22—C23—H23A107.8
C6—C5—H5A108.1C24—C23—H23B107.8
N1—C5—H5A108.1C22—C23—H23B107.8
C6—C5—H5B108.1H23A—C23—H23B107.1
N1—C5—H5B108.1C23—C24—H24A109.5
H5A—C5—H5B107.3C23—C24—H24B109.5
C5—C6—C7108.8 (8)H24A—C24—H24B109.5
C5—C6—H6A109.9C23—C24—H24C109.5
C7—C6—H6A109.9H24A—C24—H24C109.5
C5—C6—H6B109.9H24B—C24—H24C109.5
C7—C6—H6B109.9C26—C25—H25A109.5
H6A—C6—H6B108.3C26—C25—H25B109.5
C8—C7—C6115.0 (10)H25A—C25—H25B109.5
C8—C7—H7A108.5C26—C25—H25C109.5
C6—C7—H7A108.5H25A—C25—H25C109.5
C8—C7—H7B108.5H25B—C25—H25C109.5
C6—C7—H7B108.5C25—C26—C27113.7 (8)
H7A—C7—H7B107.5C25—C26—H26A108.8
C7—C8—H8A109.5C27—C26—H26A108.8
C7—C8—H8B109.5C25—C26—H26B108.8
H8A—C8—H8B109.5C27—C26—H26B108.8
C7—C8—H8C109.5H26A—C26—H26B107.7
H8A—C8—H8C109.5C26—C27—C28111.6 (7)
H8B—C8—H8C109.5C26—C27—H27A109.3
C10—C9—H9A109.5C28—C27—H27A109.3
C10—C9—H9B109.5C26—C27—H27B109.3
H9A—C9—H9B109.5C28—C27—H27B109.3
C10—C9—H9C109.5H27A—C27—H27B108.0
H9A—C9—H9C109.5N2—C28—C27117.3 (6)
H9B—C9—H9C109.5N2—C28—H28A108.0
C11—C10—C9112.6 (7)C27—C28—H28A108.0
C11—C10—H10A109.1N2—C28—H28B108.0
C9—C10—H10A109.1C27—C28—H28B108.0
C11—C10—H10B109.1H28A—C28—H28B107.2
C9—C10—H10B109.1C30—C29—N2116.4 (6)
H10A—C10—H10B107.8C30—C29—H29A108.2
C10—C11—C12113.5 (6)N2—C29—H29A108.2
C10—C11—H11A108.9C30—C29—H29B108.2
C12—C11—H11A108.9N2—C29—H29B108.2
C10—C11—H11B108.9H29A—C29—H29B107.3
C12—C11—H11B108.9C29—C30—C31118.2 (12)
H11A—C11—H11B107.7C29—C30—H30A107.8
N1—C12—C11116.2 (5)C31—C30—H30A107.8
N1—C12—H12A108.2C29—C30—H30B107.8
C11—C12—H12A108.2C31—C30—H30B107.8
N1—C12—H12B108.2H30A—C30—H30B107.1
C11—C12—H12B108.2C32—C31—C30100.3 (14)
H12A—C12—H12B107.4C32—C31—H31A111.7
C14—C13—N1118.4 (6)C30—C31—H31A111.7
C14—C13—H13A107.7C32—C31—H31B111.7
N1—C13—H13A107.7C30—C31—H31B111.7
C14—C13—H13B107.7H31A—C31—H31B109.5
N1—C13—H13B107.7C31—C32—H32A109.5
H13A—C13—H13B107.1C31—C32—H32B109.5
C15—C14—C13109.1 (7)H32A—C32—H32B109.5
C15—C14—H14A109.9C31—C32—H32C109.5
C13—C14—H14A109.9H32A—C32—H32C109.5
C15—C14—H14B109.9H32B—C32—H32C109.5
C13—C14—H14B109.9C31'—C32'—H32D109.5
H14A—C14—H14B108.3C31'—C32'—H32E109.5
C16—C15—C14113.6 (8)H32D—C32'—H32E109.5
C16—C15—H15A108.9C31'—C32'—H32F109.5
C14—C15—H15A108.9H32D—C32'—H32F109.5
C16—C15—H15B108.9H32E—C32'—H32F109.5
C14—C15—H15B108.9C32'—C31'—H31C109.7
H15A—C15—H15B107.7C32'—C31'—H31D109.7
C15—C16—H16A109.5H31C—C31'—H31D108.2
C15—C16—H16B109.5
C1—C2—C3—C4−176.0 (7)C17—C18—C19—C20−178.4 (8)
C2—C3—C4—N1−175.5 (6)C18—C19—C20—N2178.9 (7)
C12—N1—C4—C3−177.3 (6)C29—N2—C20—C19−179.6 (7)
C13—N1—C4—C362.6 (7)C28—N2—C20—C19−58.8 (9)
C5—N1—C4—C3−56.9 (8)C21—N2—C20—C1958.9 (9)
C12—N1—C5—C657.0 (7)C29—N2—C21—C22−57.2 (8)
C13—N1—C5—C6177.1 (6)C28—N2—C21—C22−177.6 (6)
C4—N1—C5—C6−61.6 (8)C20—N2—C21—C2262.2 (8)
N1—C5—C6—C7170.2 (7)N2—C21—C22—C23174.6 (7)
C5—C6—C7—C8−178.8 (10)C21—C22—C23—C24−172.3 (9)
C9—C10—C11—C12−174.1 (7)C25—C26—C27—C2869.3 (10)
C13—N1—C12—C11−51.8 (7)C29—N2—C28—C2755.2 (8)
C4—N1—C12—C11−172.1 (6)C21—N2—C28—C27175.6 (7)
C5—N1—C12—C1166.8 (7)C20—N2—C28—C27−63.4 (8)
C10—C11—C12—N1−162.0 (6)C26—C27—C28—N2−176.2 (6)
C12—N1—C13—C14−59.8 (8)C28—N2—C29—C3059.6 (9)
C4—N1—C13—C1458.6 (8)C21—N2—C29—C30−57.9 (9)
C5—N1—C13—C14−179.8 (6)C20—N2—C29—C30−179.9 (8)
N1—C13—C14—C15176.5 (7)N2—C29—C30—C31169.0 (10)
C13—C14—C15—C16−172.9 (8)C29—C30—C31—C3282 (2)
Table 1
Selected geometric parameters (Å, °) top
Zn1—Br12.3986 (11)Zn1—Br32.4082 (11)
Zn1—Br22.4014 (11)Zn1—Br42.4162 (11)
Br1—Zn1—Br2111.42 (4)Br1—Zn1—Br4112.84 (4)
Br1—Zn1—Br3106.59 (4)Br2—Zn1—Br4107.59 (4)
Br2—Zn1—Br3110.10 (4)Br3—Zn1—Br4108.26 (4)
Acknowledgements top

This work was supported by the National Natural Science Foundation of China.

references
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