Information card for entry 4314060

Structure parameters

• Chemical name: [Cu(TINM)(H2O)2](NO3)2(H2O)10
• Formula: C14.5 H12 Cu0.5 N3 O13
• Calculated formula: C14.5 H12 Cu0.5 N3 O12.98
• Title of publication: Ligand Entrapment in Twofold Interpenetrating PtS Matrixes by Metallo-Organic Frameworks
• Authors of publication: Kalle I. Nättinen; Kari Rissanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5126 - 5134
• a: 10.815 ± 0.0002 Å
• b: 16.413 ± 0.0003 Å
• c: 22.7861 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4044.68 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P b c b
• Hall space group symbol: -P 2bc 2b
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.3104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No