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Information card for entry 4117163
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Coordinates | 4117163.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cp*2Cr2(B4H8)Fe(CO)3 |
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Formula | C23 H38 B4 Cr2 Fe O3 |
Calculated formula | C23 H38 B4 Cr2 Fe O3 |
SMILES | [Fe]123([Cr]456789%10%11([Cr]%12%13%14%15%16%17%181([c]1([c]%18([c]%17([c]%16([c]%151C)C)C)C)C)[H]2[BH]([BH]%10%14[BH]%11%12[BH]([H]4)[H]%13)[H]39)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C)(C#[O])(C#[O])C#[O] |
Title of publication | Clusters as Ligands. Coordination of an Electronically Unsaturated Chromaborane to an Iron Tricarbonyl Fragment |
Authors of publication | Hisako Hashimoto; Maoyu Shang; Thomas P. Fehlner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1996 |
Journal volume | 118 |
Pages of publication | 8164 - 8165 |
a | 8.4967 ± 0.0006 Å |
b | 20.73 ± 0.002 Å |
c | 15.2484 ± 0.001 Å |
α | 90° |
β | 90.277 ± 0.006° |
γ | 90° |
Cell volume | 2685.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0755 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for all reflections | 0.1254 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Goodness-of-fit parameter for all reflections | 1.086 |
Goodness-of-fit parameter for significantly intense reflections | 1.088 |
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/4117163.html
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Users of the data should acknowledge the original authors of the
structural data.