Information card for entry 4301106

Structure parameters

• Formula: C46 H58 Cu2 N4 O14 P2
• Calculated formula: C46 H58 Cu2 N4 O14 P2
• SMILES: c1(c(cccc1C)C)OP1(=O)O[Cu]2([n]3c4c5[n]2cccc5ccc4ccc3)([OH]C)OP(=O)(O[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)(O1)[OH]C)Oc1c(cccc1C)C.OC.OC.OC.OC
• 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: 22.0352 ± 0.0013 Å
• b: 10.5235 ± 0.0006 Å
• c: 22.1141 ± 0.0013 Å
• α: 90°
• β: 108.522 ± 0.005°
• γ: 90°
• Cell volume: 4862.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No