Information card for entry 4323441

Structure parameters

• Common name: trans-Mo(η-SO~2~)~2~(dppee)~2~
• Chemical name: trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P') -bis-(η~2~(S,O)-sulfur dioxide)molybdenum (0)
• Formula: C52 H44 Mo O4 P4 S2
• Calculated formula: C52 H44 Mo O4 P4 S2
• SMILES: [Mo]1234([S](=[O]3)=O)([S](=[O]4)=O)([P](C=C[P]1(c1ccccc1)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: 21.534 ± 0.006 Å
• b: 12.4271 ± 0.0013 Å
• c: 19.55 ± 0.005 Å
• α: 90°
• β: 118.48 ± 0.014°
• γ: 90°
• Cell volume: 4598.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.0751
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No