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Information card for entry 4312928
Preview
Coordinates | 4312928.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H42 Mo N2 O4 P2 |
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Calculated formula | C48 H42 Mo N2 O4 P2 |
SMILES | [Mo]1([P](/C(=N/c2c(cc(cc2C)C)C)C(P(c2ccccc2)c2ccccc2)=[N]1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Metal Complexes with 2,3-Bis(diphenylphosphino)-1,4-diazadiene Ligands: Synthesis, Structures, and an Intramolecular Metal-Mediated [4 + 2] Cycloaddition Employing a Benzene Ring as a Dienophile |
Authors of publication | Dirk Walther; Stefan Liesicke; Lars Böttcher; Reinald Fischer; Helmar Görls; Gavin Vaughan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 625 - 632 |
a | 9.8386 ± 0.0002 Å |
b | 21.422 ± 0.0005 Å |
c | 20.0408 ± 0.0003 Å |
α | 90° |
β | 95.692 ± 0.001° |
γ | 90° |
Cell volume | 4203.02 ± 0.14 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0594 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
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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The link is: https://www.crystallography.net/4312928.html
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