Information card for entry 4306315

Structure parameters

• Common name: copperphosphonate
• Formula: C62 H57 Cl4 Cu3 N8 O16 P2
• Calculated formula: C62 H57 Cl4 Cu3 N8 O16 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: 15.017 ± 0.005 Å
• b: 24.962 ± 0.005 Å
• c: 17.015 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.554 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6366 ± 3 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2254
• Weighted residual factors for all reflections included in the refinement: 0.2583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No