Information card for entry 4319629

Structure parameters

• Formula: C95 H101 Cl2 Mo4 N12 O16 W
• Calculated formula: C95 H90 Cl2 Mo4 N12 O16 W
• Title of publication: Quadridentate Bridging EO~4~^2-^ (E = S, Mo, W) Ligands and Their Role as Electronic Bridges
• Authors of publication: F. Albert Cotton; James P. Donahue; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2229 - 2233
• a: 12.595 ± 0.003 Å
• b: 12.931 ± 0.003 Å
• c: 28.781 ± 0.007 Å
• α: 90.93 ± 0.02°
• β: 94.22 ± 0.03°
• γ: 94.7 ± 0.02°
• Cell volume: 4657.8 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections: 0.189
• Weighted residual factors for significantly intense reflections: 0.1728
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No