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Information card for entry 4087703
Preview
Coordinates | 4087703.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H25 Fe2 Mo O5 P |
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Calculated formula | C35 H25 Fe2 Mo O5 P |
SMILES | C1(=CC=C([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)[P]1(c1ccccc1)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82 |
Title of publication | Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole |
Authors of publication | Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 17 |
Pages of publication | 4293 |
a | 10.1774 ± 0.0004 Å |
b | 13.0331 ± 0.0005 Å |
c | 13.5081 ± 0.0005 Å |
α | 80.467 ± 0.003° |
β | 69.45 ± 0.004° |
γ | 67.659 ± 0.004° |
Cell volume | 1550.73 ± 0.12 Å3 |
Cell temperature | 109.9 ± 0.3 K |
Ambient diffraction temperature | 109.9 ± 0.3 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0327 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0576 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4087703.html
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Users of the data should acknowledge the original authors of the
structural data.