Information card for entry 4510275

Structure parameters

• Formula: C20 H20 Cu N8 O4 P2
• Calculated formula: C20 H20 Cu N8 O4 P2
• SMILES: c1cccc2[n]1[Cu]134(OP(=O)(N2)Nc2cccc[n]12)OP(=O)(Nc1cccc[n]41)Nc1cccc[n]31
• Title of publication: Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−
• Authors of publication: Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1701
• a: 19.418 ± 0.003 Å
• b: 19.418 ± 0.003 Å
• c: 25.392 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9574 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No