Information card for entry 4302550

Structure parameters

• Common name: copperphosphonate
• Formula: C92 H92 Cl4 Cu6 N16 O39 P4
• Calculated formula: C92 H92 Cl4 Cu6 N16 O39 P4
• Title of publication: Tri-, Tetra-, and Hexanuclear Copper(II) Phosphonates Containing N-Donor Chelating Ligands: Synthesis, Structure, Magnetic Properties, and Nuclease Activity
• Authors of publication: Vadapalli Chandrasekhar; Tapas Senapati; E. Carolina Sañudo; R. Clérac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6192 - 6204
• a: 12.979 ± 0.005 Å
• b: 18.441 ± 0.005 Å
• c: 23.548 ± 0.005 Å
• α: 93.134 ± 0.005°
• β: 97.002 ± 0.005°
• γ: 97.235 ± 0.005°
• Cell volume: 5535 ± 3 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: 0.1621
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No