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Information card for entry 4065747
Preview
Coordinates | 4065747.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H38 Co Fe O5 P |
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Calculated formula | C41 H38 Co Fe O5 P |
SMILES | C12([C@H](C(C)C)CC[C@@H](C)C1)[C]13=[C]4(c5ccccc5)[Co]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[Fe]234(C#[O])(C#[O])C#[O] |
Title of publication | Alkynyl-Dicobalt Hexacarbonyl Complexes of Menthyl Cations: Isolobal Substitution of [Co(CO)3]+by Fe(CO)3as a Structural Model† |
Authors of publication | Moore, Angela; Ortin, Yannick; Müller-Bunz, Helge; McGlinchey, Michael J. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 4882 |
a | 9.4743 ± 0.0012 Å |
b | 11.2694 ± 0.0014 Å |
c | 17.422 ± 0.002 Å |
α | 80.733 ± 0.002° |
β | 88.724 ± 0.002° |
γ | 77.161 ± 0.002° |
Cell volume | 1789.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0522 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1076 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4065747.html
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Users of the data should acknowledge the original authors of the
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