Information card for entry 4323201

Structure parameters

• Formula: C16 H14 Cu N3 Na O8
• Calculated formula: C16 H14 Cu N3 Na O8
• Title of publication: Ion-Pair Charge-Transfer Complexes Based on (o-Phenylenebis(oxamato))cuprate(II) and Cyclic Diquaternary Cations of 1,10-Phenanthroline and 2,2'-Bipyridine: Synthesis, Crystal Structure, and Physical Properties
• Authors of publication: Iosu Unamuno; Juan M. Gutiérrez-Zorrilla; Antonio Luque; Pascual Román; Luis Lezama; Rafael Calvo; Teófilo Rojo
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6452 - 6460
• a: 6.732 ± 0.003 Å
• b: 11.169 ± 0.003 Å
• c: 12.126 ± 0.002 Å
• α: 111.01 ± 0.02°
• β: 102.71 ± 0.03°
• γ: 93.57 ± 0.03°
• Cell volume: 820.2 ± 0.5 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.089
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for all reflections: 1.49
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No