Information card for entry 4508282

Structure parameters

• Common name: Cu-bpy-HEDP
• Formula: C12 H20 Cu N2 O10 P2
• Calculated formula: C12 H20 Cu N2 O10 P2
• SMILES: [Cu]12([n]3ccccc3c3[n]1cccc3)(OP(=O)(O)C(P(=O)(O2)O)(O)C)[OH2].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: 8.319 ± 0.003 Å
• b: 10.378 ± 0.004 Å
• c: 10.819 ± 0.004 Å
• α: 91.526 ± 0.006°
• β: 90.96 ± 0.007°
• γ: 93.443 ± 0.007°
• Cell volume: 931.9 ± 0.6 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.1224
• Residual factor for significantly intense reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.2509
• Weighted residual factors for all reflections included in the refinement: 0.2516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No