Information card for entry 7211581

Structure parameters

• Formula: C18 H15 Cu N2 O9 P2 V
• Calculated formula: C18 H15 Cu N2 O9 P2 V
• 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: 10.9327 ± 0.0007 Å
• b: 16.1475 ± 0.001 Å
• c: 11.8455 ± 0.0007 Å
• α: 90°
• β: 104.31 ± 0.001°
• γ: 90°
• Cell volume: 2026.3 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No