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Information card for entry 4076562
Preview
Coordinates | 4076562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H29 Co O4 |
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Calculated formula | C37 H29 Co O4 |
SMILES | [Co]1234567([c]8([cH]4[cH]3[cH]2[c]18C(=O)OC)C(=O)OC)[C]1(=[C]5([C]6(=[C]71c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands |
Authors of publication | Singh, Nem; Elias, Anil J. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 2059 |
a | 8.1315 ± 0.0012 Å |
b | 20.642 ± 0.003 Å |
c | 17.443 ± 0.003 Å |
α | 90° |
β | 95.169 ± 0.003° |
γ | 90° |
Cell volume | 2915.9 ± 0.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.074 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for significantly intense reflections | 0.1435 |
Weighted residual factors for all reflections included in the refinement | 0.1454 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.317 |
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/4076562.html
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