Information card for entry 4340709

Structure parameters

• Formula: C100 H62 Cl4 F36 Mo4 N12 O4
• Calculated formula: C100 H62 Cl4 F36 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: 11.4198 ± 0.0002 Å
• b: 34.0885 ± 0.0004 Å
• c: 13.9385 ± 0.0002 Å
• α: 90°
• β: 108.783 ± 0.002°
• γ: 90°
• Cell volume: 5137.07 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No