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Information card for entry 4076035
Preview
Coordinates | 4076035.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H36 Fe P2 Ru |
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Calculated formula | C42 H36 Fe P2 Ru |
SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)C[P]1(c1ccccc1)c1ccccc1)(C#C[c]16[cH]7[Fe]89%10%11%12%131([cH]7[cH]8[cH]69)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Syntheses, Structures, Some Reactions, and Electrochemical Oxidation of Ferrocenylethynyl Complexes of Iron, Ruthenium, and Osmium |
Authors of publication | Bruce, Michael I.; Low, Paul J.; Hartl, František; Humphrey, Paul A.; de Montigny, Frédéric; Jevric, Martyn; Lapinte, Claude; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; White, Allan H. |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Journal issue | 22 |
Pages of publication | 5241 |
a | 13.4266 ± 0.0007 Å |
b | 13.9603 ± 0.0007 Å |
c | 18.912 ± 0.001 Å |
α | 90° |
β | 109.37 ± 0.001° |
γ | 90° |
Cell volume | 3344.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.064 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for all reflections | 0.063 |
Weighted residual factors for all reflections included in the refinement | 0.056 |
Goodness-of-fit parameter for all reflections | 1.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/4076035.html
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