Information card for entry 2201311

Structure parameters

• Chemical name: trans-Bis[ethane-1,2-diylbis(diphenylphosphane)-κ2P,P']bis(thiocyanato- κN)molybdenum(II) toluene solvate
• Formula: C61 H56 Mo N2 P4 S2
• Calculated formula: C61 H56 Mo N2 P4 S2
• Title of publication: <i>trans</i>-Bis[ethane-1,2-diylbis(diphenylphosphane)-κ2<i>P,P</i>']bis(thiocyanato-κ<i>N</i>)molybdenum(II) toluene solvate
• Authors of publication: Philippopoulos, Athanassios I.; Ziemer, Burkhard; Filippou, Alexander C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m705 - m706
• a: 9.6277 ± 0.0013 Å
• b: 17.017 ± 0.002 Å
• c: 16.755 ± 0.002 Å
• α: 90°
• β: 104.172 ± 0.011°
• γ: 90°
• Cell volume: 2661.5 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes