Information card for entry 4334608

Structure parameters

• Formula: C8 H59.6667 Cu2 N2 Na4 O33.3333 P4
• Calculated formula: C8 H56.6667 Cu2 N2 Na4 O33.3333 P4
• SMILES: [Cu]12([N](CP(=O)(O1)[O-])(CP(=O)(O2)[O-])CCCC[N]12[Cu](OP(=O)(C1)[O-])(OP(=O)(C2)[O-])([OH2])[OH2])([OH2])[OH2].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Aromatic Chelator-Specific Lattice Architecture and Dimensionality in Binary and Ternary Cu(II)-Organophosphonate Materials
• Authors of publication: V. Georgantas; M. Menelaou; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; C. Mateescu; A. Salifoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4963 - 4976
• a: 13.7141 ± 0.0003 Å
• b: 15.2643 ± 0.0003 Å
• c: 16.943 ± 0.0004 Å
• α: 109.361 ± 0.001°
• β: 105.744 ± 0.001°
• γ: 104.417 ± 0.001°
• Cell volume: 2987.91 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No