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Information card for entry 7214889
Preview
Coordinates | 7214889.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H16 Br Hg I2 N5 O S |
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Calculated formula | C20 H16 Br Hg I2 N5 O S |
SMILES | [Hg]1(I)(I)[n]2cccc3c4[nH]c(nc4c4ccc[n]1c4c23)c1sc(Br)cc1.O=CN(C)C |
Title of publication | Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline |
Authors of publication | Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 23 |
Pages of publication | 8023 |
a | 7.6661 ± 0.0011 Å |
b | 24.296 ± 0.003 Å |
c | 14.8623 ± 0.0016 Å |
α | 90° |
β | 116.268 ± 0.005° |
γ | 90° |
Cell volume | 2482.3 ± 0.6 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0574 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.883 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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