Information card for entry 7209595

Structure parameters

• Formula: C32 H35 N9 Ni O4.5
• Calculated formula: C32 H34 N9 Ni O4.5
• Title of publication: Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties
• Authors of publication: Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3630
• a: 10.1205 ± 0.0005 Å
• b: 11.8855 ± 0.0007 Å
• c: 13.4846 ± 0.0007 Å
• α: 91.532 ± 0.005°
• β: 92.938 ± 0.004°
• γ: 110.081 ± 0.005°
• Cell volume: 1519.72 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No