Information card for entry 4122341

Structure parameters

• Common name: [Mo2(MeOPhNCHNPhOMe)2(ThCO2)2]
• Formula: C40 H36 Mo2 N4 O8 S2
• Calculated formula: C40 H36 Mo2 N4 O8 S2
• Title of publication: Photophysical Properties of cis-Mo2 Quadruply Bonded Complexes and Observation of Photoinduced Electron Transfer to Titanium Dioxide.
• Authors of publication: Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Gustafson, Terry L.; Spilker, Thomas F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 32
• Pages of publication: 11428 - 11435
• a: 18.9078 ± 0.0002 Å
• b: 9.9378 ± 0.0001 Å
• c: 21.7123 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4079.78 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No