Information card for entry 4329729

Structure parameters

• Formula: C30 H39 Mo2 O3 P
• Calculated formula: C30 H39 Mo2 O3 P
• SMILES: [Mo]12345([P]6([Mo]789%10%11%12%13%14%15([cH]%16[cH]7[cH]8[cH]9[cH]%10%16)[c]76[c]%11([cH]%12[c]%13([cH]%14[c]%157C(C)(C)C)C(C)(C)C)C(C)(C)C)O1)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands
• Authors of publication: Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7810 - 7824
• a: 9.6372 ± 0.0019 Å
• b: 16.773 ± 0.003 Å
• c: 17.553 ± 0.003 Å
• α: 90°
• β: 93.209 ± 0.004°
• γ: 90°
• Cell volume: 2832.9 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No