Information card for entry 4301104

Structure parameters

• Formula: C84 H132 Cu4 N8 O20 P4
• Calculated formula: C84 H132 Cu4 N8 O20 P4
• SMILES: c1(c(cccc1C)C)OP12=[O][Cu]3([n]4[nH]c(cc4C(C)(C)C)C(C)(C)C)OP4(=[O][Cu]([n]5[nH]c(cc5C(C)(C)C)C(C)(C)C)(O2)OP2(=[O][Cu]([n]5[nH]c(cc5C(C)(C)C)C(C)(C)C)(O4)OP(O3)(=[O][Cu](O1)([n]1[nH]c(cc1C(C)(C)C)C(C)(C)C)O2)Oc1c(cccc1C)C)Oc1c(cccc1C)C)Oc1c(cccc1C)C.O1CCOCC1.O1CCOCC1
• Title of publication: Di-, Tri-, Tetra-, and Hexanuclear Copper(II) Mono-organophosphates: Structure and Nuclearity Dependence on the Choice of Phosphorus Substituents and Auxiliary N-Donor Ligands
• Authors of publication: Ramaswamy Murugavel; Subramaniam Kuppuswamy; Amarendra Nath Maity; Mayank Pratap Singh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 183 - 192
• a: 17.8321 ± 0.0012 Å
• b: 26.9021 ± 0.0018 Å
• c: 19.4751 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9342.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No