Information card for entry 4301105

Structure parameters

• Formula: C22 H35 N4 O4 P
• Calculated formula: C22 H35 N4 O4 P
• SMILES: P(=O)(O)([O-])Oc1c(cccc1C(C)C)C(C)C.n1[nH]c(cc1C)C.[nH+]1[nH]c(C)cc1C
• 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: 9.5984 ± 0.0019 Å
• b: 11.7585 ± 0.0011 Å
• c: 12.3069 ± 0.001 Å
• α: 68.357 ± 0.007°
• β: 84.115 ± 0.01°
• γ: 75.241 ± 0.01°
• Cell volume: 1248.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No