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Information card for entry 4313377
Preview
Coordinates | 4313377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H48 B2 N8 S4 Zn |
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Calculated formula | C28 H48 B2 N8 S4 Zn |
SMILES | [Zn]12([S]=c7n(C(C)(C)C)ccn7[BH2]n3c(=[S]1)n(C(C)(C)C)cc3)[S]=c1n(C(C)(C)C)ccn1[BH2]n1c(=[S]2)n(C(C)(C)C)cc1 |
Title of publication | Homoleptic Group 12 Metal Bis(mercaptoimidazolyl)borate Complexes M(BmR)2(M = Zn, Cd, Hg) |
Authors of publication | Hamsell M. Alvarez; Thuy B. Tran; Mary A. Richter; Dania M. Alyounes; Daniel Rabinovich; Joseph M. Tanski; Mariusz Krawiec |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2149 - 2156 |
a | 10.031 ± 0.004 Å |
b | 10.484 ± 0.004 Å |
c | 18.559 ± 0.007 Å |
α | 83.741 ± 0.007° |
β | 78.966 ± 0.007° |
γ | 71.408 ± 0.009° |
Cell volume | 1813.3 ± 1.2 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1695 |
Residual factor for significantly intense reflections | 0.0988 |
Weighted residual factors for significantly intense reflections | 0.2419 |
Weighted residual factors for all reflections included in the refinement | 0.2843 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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