Information card for entry 4340706

Structure parameters

• Formula: C89 H64 Cl6 F12 Mo4 N12 O4
• Calculated formula: C89 H62 Cl6 F12 Mo4 N12 O4
• Title of publication: Perturbation of the Charge Density between Two Bridged Mo2 Centers: The Remote Substituent Effects.
• Authors of publication: Cheng, Tao; Meng, Miao; Lei, Hao; Liu, Chun Y.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9213 - 9221
• a: 10.5077 ± 0.0004 Å
• b: 12.638 ± 0.0006 Å
• c: 18.173 ± 0.0008 Å
• α: 83.994 ± 0.004°
• β: 79.78 ± 0.004°
• γ: 68.635 ± 0.004°
• Cell volume: 2209.7 ± 0.18 ų
• Cell temperature: 255 ± 2 K
• Ambient diffraction temperature: 255 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No