Information card for entry 4311914

Structure parameters

• Formula: C28 H32.5 Mo5 N6 Ni2 O25.5 P2
• Calculated formula: C28 H32 Mo5 N6 Ni2 O25.25 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: 12.4451 ± 0.0006 Å
• b: 12.9157 ± 0.0007 Å
• c: 13.4289 ± 0.0007 Å
• α: 96.827 ± 0.001°
• β: 99.047 ± 0.001°
• γ: 92.302 ± 0.001°
• Cell volume: 2112.74 ± 0.19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No