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Information card for entry 7004973
Preview
Coordinates | 7004973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H35 B20 Co O2 S4 W |
---|---|
Calculated formula | C16 H35 B20 Co O2 S4 W |
SMILES | [W]123([Co]45678([S]1[C]19%10%11[BH]%12%13%14[BH]%15%161[BH]1%179[BH]9%18%10[BH]%10%19%20[BH]%21%12([BH]%12%13%15[BH]%13%161[BH]%179%10[BH]%19%21%12%13)[C]%11%14%18%20[S]24)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)(S[C]1245[BH]678[BH]9%101[BH]1%112[BH]2%124[BH]4%13%14[BH]%156([C]57%12%13S3)[BH]35%14[BH]91([BH]%11243)[BH]8%10%155)(C#[O])C#[O] |
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 | 13.778 ± 0.003 Å |
b | 14.753 ± 0.003 Å |
c | 17.735 ± 0.004 Å |
α | 95.409 ± 0.004° |
β | 101.631 ± 0.004° |
γ | 90.833 ± 0.004° |
Cell volume | 3513.1 ± 1.3 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 | 0.1305 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.1623 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
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/7004973.html
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Users of the data should acknowledge the original authors of the
structural data.