Information card for entry 7216094

Structure parameters

• Formula: C48 H38 Cu2 N4 O15 P4 V2
• Calculated formula: C48 H36 Cu2 N4 O15 P4 V2
• Title of publication: Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety
• Authors of publication: Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 80
• Pages of publication: 480
• a: 9.7559 ± 0.0009 Å
• b: 13.8997 ± 0.0013 Å
• c: 19.7171 ± 0.0018 Å
• α: 101.657 ± 0.002°
• β: 93.949 ± 0.002°
• γ: 110.477 ± 0.002°
• Cell volume: 2424.6 ± 0.4 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No