Information card for entry 4311908

Structure parameters

• Formula: C13 H12 Mo3 N3 Ni O15 P2
• Calculated formula: C13 H12 Mo3 N3 Ni O15 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: 9.6676 ± 0.0005 Å
• b: 11.0988 ± 0.0005 Å
• c: 11.5999 ± 0.0006 Å
• α: 70.135 ± 0.001°
• β: 75.46 ± 0.001°
• γ: 70.887 ± 0.001°
• Cell volume: 1092.29 ± 0.09 ų
• Cell temperature: 91 ± 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: 0.0269
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No