Information card for entry 4319990

Structure parameters

• Formula: C26 H20 Cu2 N4 O16 P4 V2
• Calculated formula: C26 H20 Cu2 N4 O16 P4 V2
• Title of publication: Solid-State Coordination Chemistry: Structural Influences of Copper-Phenanthroline Subunits on Oxovanadium Organophosphonate Phases. Hydrothermal Synthesis and Structural Characterization of the Two-Dimensional Materials [Cu(phen)(VO)(O3PCH2PO3)(H2O)], [{Cu(phen)}2(V2O5)(O3PCH2CH2PO3)], and [{Cu(phen)}2(V3O5)(O3PCH2CH2CH2PO3)2(H2O)] and of the Three-Dimensional Phase [{Cu(phen)}2(V3O5)(O3PCH2PO3)2(H2O)]
• Authors of publication: Robert C. Finn; Robert Lam; John E. Greedan; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3745 - 3754
• a: 9.0656 ± 0.0005 Å
• b: 8.6584 ± 0.0005 Å
• c: 20.9345 ± 0.0011 Å
• α: 90°
• β: 97.306 ± 0.001°
• γ: 90°
• Cell volume: 1629.88 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1147
• 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