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Information card for entry 4077458
Preview
Coordinates | 4077458.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H42 Bi2 Fe5 O13 |
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Calculated formula | C39 H42 Bi2 Fe5 O13 |
SMILES | [Bi]12([Fe]3([Bi]4([Fe]13([Fe]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Fe]1234(C#[O])(C#[O])[cH]5[c]1([cH]2[cH]3[c]45C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O])[Fe]1234(C#[O])(C#[O])[cH]5[c]1([cH]2[cH]3[c]45C(C)(C)C)C(C)(C)C |
Title of publication | Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters† |
Authors of publication | Gröer, Thomas; Scheer, Manfred |
Journal of publication | Organometallics |
Year of publication | 2000 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 3683 |
a | 9.654 ± 0.002 Å |
b | 9.756 ± 0.002 Å |
c | 27.598 ± 0.004 Å |
α | 83.25 ± 0.03° |
β | 81.25 ± 0.03° |
γ | 63.9 ± 0.03° |
Cell volume | 2303.3 ± 1 Å3 |
Cell temperature | 200 ± 1 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.046 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for all reflections | 0.0833 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Goodness-of-fit parameter for all reflections | 1.064 |
Goodness-of-fit parameter for significantly intense reflections | 1.141 |
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/4077458.html
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Users of the data should acknowledge the original authors of the
structural data.