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Information card for entry 7004974
Preview
Coordinates | 7004974.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H35 B20 Co O2 Se4 W |
---|---|
Calculated formula | C16 H35 B20 Co O2 Se4 W |
SMILES | [Co]123456([W]78([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#[O])C#[O])[c]1([c]3([c]4([c]5([c]61C)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 | 12.095 ± 0.007 Å |
b | 13.725 ± 0.008 Å |
c | 14.006 ± 0.008 Å |
α | 72.538 ± 0.007° |
β | 68.77 ± 0.007° |
γ | 66.64 ± 0.007° |
Cell volume | 1956 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.1046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/7004974.html
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Users of the data should acknowledge the original authors of the
structural data.