Information card for entry 4323438

Structure parameters

• Common name: trans-Mo(S)2(dppe)2
• Chemical name: trans-bis(1,2-bis(diphenylphosphino)ethane-P,P')-bis-sulfido-molybdenum (IV), toluene solvate
• Formula: C55.5 H52 Mo P4 S2
• Calculated formula: C55 H48 Mo P4 S2
• Title of publication: Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands
• Authors of publication: F. Albert Cotton; Günter Schmid
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2267 - 2278
• a: 49.515 ± 0.007 Å
• b: 10.9286 ± 0.0012 Å
• c: 18.203 ± 0.003 Å
• α: 90°
• β: 98.306 ± 0.012°
• γ: 90°
• Cell volume: 9747 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.0951
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No