Information card for entry 4310521

Structure parameters

• Formula: C58 H120 Cu4 N2 O26 P6
• Calculated formula: C58 H120 Cu4 N2 O26 P6
• SMILES: c1cccc[n]1[Cu]123[OH]4[Cu]5([O]=P(O1)(OC(C)(C)C)OC(C)(C)C)(OP(=[O]2)(OC(C)(C)C)OC(C)(C)C)[O]=P(O[Cu]12([n]6ccccc6)[OH]5[Cu]4([O]=P(O1)(OC(C)(C)C)OC(C)(C)C)(OP(=[O]2)(OC(C)(C)C)OC(C)(C)C)[O]=P(O3)(OC(C)(C)C)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: 22.741 ± 0.002 Å
• b: 16.6507 ± 0.001 Å
• c: 22.6728 ± 0.0011 Å
• α: 90°
• β: 94.14 ± 0.06°
• γ: 90°
• Cell volume: 8562.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No