Information card for entry 4324436

Structure parameters

• Common name: copperphosphonate
• Formula: C43 H52 Cu4 N4 O12 P
• Calculated formula: C43 H52 Cu4 N4 O12 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: 20.5332 ± 0.001 Å
• b: 18.2249 ± 0.0009 Å
• c: 24.15 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9037.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No