Information card for entry 4317408

Structure parameters

• Formula: C34 H29 Mo O2 P
• Calculated formula: C34 H29 Mo O2 P
• SMILES: [Mo]1234567(Oc8c([c]91[cH]2[cH]3[cH]4[cH]5[cH]6[cH]79)cc(cc8C)C)(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Molybdenum Complexes with Linked Cycloheptatrienyl-Phenolate Ligands
• Authors of publication: Matthias Tamm; Thomas Bannenberg; Bernd Dreßel; Roland Fröhlich; Christiane Holst
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 47 - 59
• a: 9.915 ± 0.001 Å
• b: 24.601 ± 0.001 Å
• c: 11.707 ± 0.001 Å
• α: 90°
• β: 107.95 ± 0.01°
• γ: 90°
• Cell volume: 2716.6 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0813
• 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