Information card for entry 4332242

Structure parameters

• Formula: C25 H20 Cu2 N4 O13 P2 V2
• Calculated formula: C25 H20 Cu2 N4 O13 P2 V2
• Title of publication: Two New Hybrid Organic/Inorganic Copper(II)−Oxovanadate(V) Diphosphonates: [Cu2(phen)2(O3PCH2PO3)(V2O5)(H2O)]·H2O and [Cu2(phen)2(O3P(CH2)3PO3)(V2O5)]·C3H8. Synthesis, Structure, and Magnetic Properties
• Authors of publication: Ushak, Svetlana; Spodine, Evgenia; Le Fur, Eric; Venegas-Yazigi, Diego; Pivan, Jean-Yves; Schnelle, Walter; Cardoso-Gil, Raul; Kniep, Rüdiger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5393 - 5398
• a: 11.788 ± 0.0017 Å
• b: 17.887 ± 0.003 Å
• c: 14.158 ± 0.002 Å
• α: 90°
• β: 93.988 ± 0.002°
• γ: 90°
• Cell volume: 2978 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No