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Information card for entry 7004972
Preview
Coordinates | 7004972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H35 B20 Co Mo O2 Se4 |
---|---|
Calculated formula | C16 H35 B20 Co Mo O2 Se4 |
SMILES | [Co]123456([Mo]78(C#[O])(C#[O])([Se]1[C]19%10%11[C]%12%13%14([Se]27)[BH]271[BH]1%159[BH]9%16%10[BH]%10%11%12[BH]%11%12%16[BH]%16%159[BH]971[BH]1%132[BH]%14%10%11[BH]%12%1691)[Se][C]1279[C]%10%11%12([Se]8)[BH]8%131[BH]1%142[BH]2%157[BH]79%10[BH]9%10%15[BH]%15%142[BH]2%131[BH]1%118[BH]%1279[BH]%10%1521)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C |
Title of publication | Syntheses and structures of heterometallic clusters by the reaction of o-carboranyl cobaltadichalcogenolato complexes. |
Authors of publication | Chen, Yin-Qiang; Zhang, Jiasheng; Cai, Shuyi; Hou, Xiu-Feng; Schumann, Herbert; Jin, Guo-Xin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 7 |
Pages of publication | 749 - 758 |
a | 10.709 ± 0.003 Å |
b | 10.383 ± 0.003 Å |
c | 16.57 ± 0.004 Å |
α | 90° |
β | 108.06 ± 0.004° |
γ | 90° |
Cell volume | 1751.7 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0856 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.1163 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7004972.html
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Users of the data should acknowledge the original authors of the
structural data.