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Information card for entry 7110621
Preview
Coordinates | 7110621.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H28 Fe3 N2 O10 P2 |
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Calculated formula | C23 H28 Fe3 N2 O10 P2 |
SMILES | C1(=P2([Fe]3([P]1([Fe](C#[O])(C#[O])(C#[O])C#[O])[Fe]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])N(C(C)C)C(C)C)N(C(C)C)C(C)C |
Title of publication | Ligand properties of 1H-diphosphirenes and diphosphirenylium salts towards iron carbonyl fragments |
Authors of publication | Bourissou, Didier; Canac, Yves; Gornitzka, Heinz; Baceiredo, Antoine; Bertrand, Guy |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 16 |
Pages of publication | 1535 |
a | 15.7039 ± 0.0004 Å |
b | 19.5502 ± 0.0004 Å |
c | 20.336 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6243.4 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
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/7110621.html
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Users of the data should acknowledge the original authors of the
structural data.