Information card for entry 4329734

Structure parameters

• Formula: C30 H39 Mo2 O2 P S2
• Calculated formula: C30 H39 Mo2 O2 P S2
• SMILES: [Mo]12345([P]6(S1)S[Mo]1789%10%11%12%13%14([c]%156[cH]1[cH]7[cH]8[cH]9%15)[cH]1[c]%10([cH]%11[c]%12([cH]%13[c]%141C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21
• 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: 9.5281 ± 0.0006 Å
• b: 12.5563 ± 0.001 Å
• c: 14.4321 ± 0.0011 Å
• α: 64.355 ± 0.008°
• β: 77.855 ± 0.006°
• γ: 87.777 ± 0.006°
• Cell volume: 1519 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.1006
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No