Information card for entry 4310522

Structure parameters

• Formula: C32 H58 Cu N2 O8 P2
• Calculated formula: C32 H58 Cu N2 O8 P2
• SMILES: C(C)(C)(C)OP(=O)(O[Cu]([n]1c(cc(cc1C)C)C)([n]1c(cc(cc1C)C)C)OP(=O)(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C
• Title of publication: Monomeric, Tetrameric, and Polymeric Copper Di-tert-butyl Phosphate Complexes Containing Pyridine Ancillary Ligands
• Authors of publication: Ramaswamy Murugavel; Malaichamy Sathiyendiran; Ramasamy Pothiraja; Mrinalini G. Walawalkar; Talal Mallah; Eric Riviére
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 945 - 953
• a: 19.961 ± 0.003 Å
• b: 19.961 ± 0.003 Å
• c: 19.041 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7587 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No