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Information card for entry 4066228
Preview
Coordinates | 4066228.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H36 Co O P3 |
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Calculated formula | C15 H36 Co O P3 |
SMILES | [Co]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)C[C]1(=[CH]2C(=O)C)C |
Title of publication | Synthesis, Structure, Spectroscopy, and Reactivity of Oxapentadienyl−Cobalt−Phosphine Complexes†,(1) |
Authors of publication | Bleeke, John R.; Lutes, Bryn L.; Lipschutz, Michael; Sakellariou-Thompson, Donastas; Lee, John Seonghyun; Rath, Nigam P. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 5057 |
a | 8.7078 ± 0.0005 Å |
b | 16.0967 ± 0.0008 Å |
c | 14.2582 ± 0.0008 Å |
α | 90° |
β | 93.93 ± 0.002° |
γ | 90° |
Cell volume | 1993.83 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0461 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0605 |
Weighted residual factors for all reflections included in the refinement | 0.066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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