Information card for entry 4306314

Structure parameters

• Common name: copperphosphonate
• Formula: C49 H54 Cl2 Cu3 N6 O17 P2
• Calculated formula: C49 H54 Cl2 Cu3 N6 O17 P2
• Title of publication: Synthesis, Structure, and Magnetism of Hexanuclear Copper(II) Phosphonates
• Authors of publication: Vadapalli Chandrasekhar; Tapas Senapati; E. Carolina Sañudo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9553 - 9560
• a: 12.649 ± 0.005 Å
• b: 15.225 ± 0.005 Å
• c: 15.896 ± 0.005 Å
• α: 111.439 ± 0.005°
• β: 95.405 ± 0.005°
• γ: 109.795 ± 0.005°
• Cell volume: 2596.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No