Information card for entry 4306316

Structure parameters

• Common name: copperphosphonate
• Formula: C112 H114 Cl4 Cu6 N18 O32 P4
• Calculated formula: C112 H114 Cl4 Cu6 N18 O32 P4
• 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: 14.7064 ± 0.0015 Å
• b: 14.8112 ± 0.0015 Å
• c: 15.2607 ± 0.0015 Å
• α: 110.074 ± 0.002°
• β: 97.147 ± 0.002°
• γ: 106.121 ± 0.002°
• Cell volume: 2909.1 ± 0.5 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: 0.1055
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No