Information card for entry 4323435

Structure parameters

• Common name: trans-Mo(S)~2~(dppee)~2~
• Chemical name: trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P')-bis-sulfido- molybdenum(IV)
• Formula: C52 H44 Mo P4 S2
• Calculated formula: C52 H44 Mo P4 S2
• SMILES: [Mo]12(=S)(=S)([P](c3ccccc3)(C=C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[P](C=C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.102 ± 0.004 Å
• b: 10.722 ± 0.004 Å
• c: 12.195 ± 0.003 Å
• α: 100.95 ± 0.03°
• β: 95.04 ± 0.04°
• γ: 117.81 ± 0.02°
• Cell volume: 1123.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.0969
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No