Information card for entry 4324439

Structure parameters

• Common name: copperphosphonate
• Formula: C52 H71 Cu4 N4 O15 P
• Calculated formula: C52 H71 Cu4 N4 O15 P
• Title of publication: Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates
• Authors of publication: Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1420 - 1428
• a: 13.168 ± 0.005 Å
• b: 14.028 ± 0.005 Å
• c: 16.709 ± 0.005 Å
• α: 75.594 ± 0.005°
• β: 76.835 ± 0.005°
• γ: 67.154 ± 0.005°
• Cell volume: 2725 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No