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Information card for entry 4081500
Preview
Coordinates | 4081500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H55 Fe N2 O P2 Sc Si |
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Calculated formula | C30 H55 Fe N2 O P2 Sc Si |
SMILES | [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)N(P(C(C)C)C(C)C)[Sc](C[Si](C)(C)C)(N2P(C(C)C)C(C)C)[O]1CCCC1 |
Title of publication | Synthesis of a Dinuclear Ferrocene-Linked Bis(phosphinoamide)scandium Hydride Complex |
Authors of publication | Halcovitch, Nathan R.; Fryzuk, Michael D. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5705 |
a | 10.2624 ± 0.0006 Å |
b | 10.6936 ± 0.0007 Å |
c | 16.0424 ± 0.001 Å |
α | 79.4543 ± 0.0022° |
β | 86.3043 ± 0.0022° |
γ | 86.4526 ± 0.0021° |
Cell volume | 1724.94 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0259 |
Residual factor for significantly intense reflections | 0.0235 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
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/4081500.html
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Users of the data should acknowledge the original authors of the
structural data.