Information card for entry 7003124

Structure parameters

• Formula: C62 H74 Cu4 N8 O18 P2
• Calculated formula: C68 H78 Cu4 N8 O26 P2
• Title of publication: Synthesis, structure, magnetism and nuclease activity of tetranuclear copper(ii) phosphonates containing ancillary 2,2′-bipyridine or 1,10-phenanthroline ligands
• Authors of publication: Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Senapati, Tapas; Thilagar, Pakkirisamy; Ghosh, Surajit; Verma, Sandeep; Boomishankar, Ramamoorthy; Steiner, Alexander; Kögerler, Paul
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1150 - 1160
• a: 11.747 ± 0.003 Å
• b: 17.734 ± 0.004 Å
• c: 18.981 ± 0.005 Å
• α: 90°
• β: 104.22 ± 0.03°
• γ: 90°
• Cell volume: 3833 ± 1.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1686
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No