Information card for entry 4508285

Structure parameters

• Formula: C24 H44 Cu2 N4 O20 P4
• Calculated formula: C24 H44 Cu2 N4 O20 P4
• SMILES: O=P(O)(CCP1(=[O][Cu]2([OH2])([n]3c(c4[n]2cccc4)cccc3)OP(=[O][Cu]2(O1)([OH2])[n]1c(c3cccc[n]23)cccc1)(O)CCP(=O)([O-])O)O)[O-].O.O.O.O.O.O
• Title of publication: Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis
• Authors of publication: Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4480
• a: 9.558 ± 0.0001 Å
• b: 10.064 ± 0.0002 Å
• c: 10.945 ± 0.0002 Å
• α: 114.887 ± 0.0009°
• β: 93.444 ± 0.001°
• γ: 90.887 ± 0.0009°
• Cell volume: 952.36 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No