Information card for entry 4311917

Structure parameters

• Formula: C60 H56.75 Mo6 N12 Ni2 O31.5 P2
• Calculated formula: C60 H42 Mo6 N12 Ni2 O31.4 P2
• Title of publication: Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths
• Authors of publication: Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7014 - 7029
• a: 24.8493 ± 0.0009 Å
• b: 13.2818 ± 0.0005 Å
• c: 21.6657 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7150.6 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No