Information card for entry 4510279

Structure parameters

• Formula: C26 H34 Cu N10 O6 P2
• Calculated formula: C26 H34 Cu N10 O6 P2
• SMILES: C(=O)N(C)C.[Cu]1234(OP(=O)(Nc5cccc[n]15)Nc1cccc[n]31)OP(=O)(Nc1cccc[n]21)Nc1cccc[n]41.C(=O)N(C)C
• 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: 11.08 ± 0.0003 Å
• b: 10.0088 ± 0.0003 Å
• c: 14.0334 ± 0.0004 Å
• α: 90°
• β: 90.584 ± 0.002°
• γ: 90°
• Cell volume: 1556.19 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No