Information card for entry 4302548

Structure parameters

• Common name: copperphosphonate
• Formula: C41 H45 Cl2 Cu3 N9 O13 P2
• Calculated formula: C41 H45 Cl2 Cu3 N9 O13 P2
• 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: 9.7651 ± 0.0003 Å
• b: 23.5852 ± 0.0007 Å
• c: 10.5894 ± 0.0003 Å
• α: 90°
• β: 100.883 ± 0.002°
• γ: 90°
• Cell volume: 2395 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No