Information card for entry 7044228

Structure parameters

• Formula: C94 H122 Br4 Cu3 N8 O24 P4
• Calculated formula: C94 H122 Br4 Cu3 N8 O24 P4
• Title of publication: Selective formation of discrete versus polymeric copper organophosphates: DNA cleavage and cytotoxic activity
• Authors of publication: Bhat, Gulzar A.; Maqbool, Raihana; Dar, Aijaz; Hussain, Mahboob Ul; Murugavel, Ramaswamy
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.27 ± 0.005 Å
• b: 13.932 ± 0.007 Å
• c: 19.316 ± 0.007 Å
• α: 95.074 ± 0.008°
• β: 99.545 ± 0.006°
• γ: 111.15 ± 0.018°
• Cell volume: 2509 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No