Information card for entry 7216092

Structure parameters

• Formula: C16 H13 Cu N2 O8 P2 V
• Calculated formula: C16 H13 Cu N2 O8 P2 V
• 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: 8.0833 ± 0.0007 Å
• b: 11.5444 ± 0.001 Å
• c: 10.5565 ± 0.0009 Å
• α: 90°
• β: 108.335 ± 0.002°
• γ: 90°
• Cell volume: 935.09 ± 0.14 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No