Information card for entry 4311916

Structure parameters

• Formula: C49 H41 Mo7 N12 Ni2 O30.5 P2
• Calculated formula: C49 H34 Mo7 N12 Ni2 O30.5 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: 11.8055 ± 0.0014 Å
• b: 24.057 ± 0.003 Å
• c: 22.381 ± 0.003 Å
• α: 90°
• β: 99.901 ± 0.002°
• γ: 90°
• Cell volume: 6261.6 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No