Information card for entry 7211594

Structure parameters

• Formula: C16 H17 Cu N2 O10 P3
• Calculated formula: C16 H15 Cu N2 O10 P3
• Title of publication: Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits
• Authors of publication: DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 446
• a: 9.8914 ± 0.0009 Å
• b: 10.013 ± 0.0009 Å
• c: 11.5152 ± 0.001 Å
• α: 104.248 ± 0.001°
• β: 98.961 ± 0.002°
• γ: 115.909 ± 0.001°
• Cell volume: 947.88 ± 0.15 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No