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Information card for entry 4315166
Preview
Coordinates | 4315166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 B4 S3 V2 |
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Calculated formula | C28 H34 B4 S3 V2 |
SMILES | [B]12([B]3[H][V]45678([H][B]9([B](Sc%10ccccc%10)([H][V]%10%11%12%13([cH]%14[cH]%10[cH]%11[cH]%12[cH]%13%14)([H]9)([H]1)[H]3)[H]8)Sc1ccccc1)([cH]1[cH]4[cH]5[cH]6[cH]71)[H]2)Sc1ccccc1 |
Title of publication | Chemistry of Vanadaboranes: Synthesis, Structures, and Characterization of Organovanadium Sulfide Clusters with Disulfido Linkage |
Authors of publication | Shubhankar Kumar Bose; K. Geetharani; V. Ramkumar; Babu Varghese; Sundargopal Ghosh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 2881 - 2888 |
a | 12.4162 ± 0.0004 Å |
b | 16.4868 ± 0.0005 Å |
c | 14.5421 ± 0.0004 Å |
α | 90° |
β | 102.885 ± 0.001° |
γ | 90° |
Cell volume | 2901.86 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0541 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4315166.html
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Users of the data should acknowledge the original authors of the
structural data.