Information card for entry 7211586

Structure parameters

• Formula: C42 H32 Cu2 F N6 O18 P4 V3
• Calculated formula: C42 H32 Cu2 F N6 O18 P4 V3
• 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: 10.3398 ± 0.0007 Å
• b: 25.5265 ± 0.0016 Å
• c: 10.0075 ± 0.0006 Å
• α: 90°
• β: 118.77 ± 0.001°
• γ: 90°
• Cell volume: 2315.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.385
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No