Information card for entry 4340708

Structure parameters

• Formula: C100 H62 Cl4 F36 Mo4 N12 O16
• Calculated formula: C100 H62 Cl4 F36 Mo4 N12 O16
• 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: 11.3663 ± 0.0004 Å
• b: 15.0539 ± 0.0005 Å
• c: 17.508 ± 0.0007 Å
• α: 91.343 ± 0.003°
• β: 107.039 ± 0.003°
• γ: 108.251 ± 0.003°
• Cell volume: 2698.17 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No