Information card for entry 7239203

Structure parameters

• Common name: Cu
• Formula: C28 H21 Cu N5 O6
• Calculated formula: C28 H21 Cu N5 O6
• Title of publication: Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid
• Authors of publication: Yu, Meihui; Hu, Ming; Wu, Zhenting
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 47
• Pages of publication: 25175
• a: 8.4018 ± 0.0018 Å
• b: 17.937 ± 0.004 Å
• c: 19.719 ± 0.004 Å
• α: 90°
• β: 94.26 ± 0.004°
• γ: 90°
• Cell volume: 2963.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No