Information card for entry 4332438

Structure parameters

• Formula: C90 H176 Co4 Mo6 N12 O30 S4
• Calculated formula: C89.996 H176 Co4 Mo6 N12 O30 S4
• Title of publication: Stabilization of a Monomethyl Orthomolybdate in the Binding Pocket of a Dinuclear Cobalt Complex
• Authors of publication: Lozan, Vasile; Kersting, Berthold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5630 - 5634
• a: 14.229 ± 0.003 Å
• b: 14.514 ± 0.003 Å
• c: 16.862 ± 0.003 Å
• α: 65.34 ± 0.03°
• β: 70.77 ± 0.03°
• γ: 75.23 ± 0.03°
• Cell volume: 2960 ± 1.3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.1222
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No