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Information card for entry 4082080
Preview
Coordinates | 4082080.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | brad23 |
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Formula | C57 H54 Cl4 Fe N2 O2 P Rh S |
Calculated formula | C57 H54 Cl4 Fe N2 O2 P Rh S |
SMILES | [Rh]123([Fe]4567([cH]8[cH]5[cH]4[cH]7[cH]68)(C#[O])(/C2=N/c2ccc(Cl)cc2)/C3=N\c2ccc(Cl)cc2)([S]2c3c([P]1(c1ccccc1)c1ccccc1)cc(C(C)(C)C)cc3C(C)(C)c1cc(C(C)(C)C)ccc21)C#[O].ClCCl |
Title of publication | Bridging Rhodium‒Iron Borataaminocarbyne Complexes Formed by Intramolecular Isonitrile‒Borane Coordination |
Authors of publication | Cowie, Bradley E.; Emslie, David J. H. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7297 |
a | 12.5134 ± 0.0018 Å |
b | 13.682 ± 0.0019 Å |
c | 15.469 ± 0.002 Å |
α | 92.902 ± 0.002° |
β | 92.532 ± 0.003° |
γ | 96.036 ± 0.003° |
Cell volume | 2627.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0921 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1045 |
Weighted residual factors for all reflections included in the refinement | 0.1299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4082080.html
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Users of the data should acknowledge the original authors of the
structural data.