Information card for entry 4311909

Structure parameters

• Formula: C13 H12 Cu Mo3 N3 O15 P2
• Calculated formula: C13 H12 Cu Mo3 N3 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: 9.6137 ± 0.0006 Å
• b: 11.3905 ± 0.0007 Å
• c: 11.5527 ± 0.0007 Å
• α: 70.774 ± 0.001°
• β: 74.806 ± 0.001°
• γ: 70.495 ± 0.001°
• Cell volume: 1109.4 ± 0.12 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: 0.0316
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No