Information card for entry 4340707

Structure parameters

• Formula: C106 H102 Cl12 Mo4 N12 O10
• Calculated formula: C106 H58 Cl12 Mo4 N12 O10
• 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: 10.5213 ± 0.0004 Å
• b: 14.6564 ± 0.0006 Å
• c: 18.3112 ± 0.0008 Å
• α: 74.212 ± 0.004°
• β: 89.818 ± 0.003°
• γ: 79.755 ± 0.004°
• Cell volume: 2670.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No