Information card for entry 1516940

Structure parameters

• Chemical name: {[Ni(HPA)(ptmb)(H2O)2]-H2O}
• Formula: C21 H24 N6 Ni O7
• Calculated formula: C21 H24 N6 Ni O7
• Title of publication: A series of transition coordination polymers assembled by asymmetric dicarboxylic acid and flexible bridging ligand: Structural diversities, topologies and properties
• Authors of publication: Wang, Yan; Liu, Zhiqing; Zhou, Juhong; Wang, Tao; Wang, Suna; Liu, Guangxiang; Wang, Xiaoxiao; Gao, Ya; Xu, Jing
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 169 - 178
• a: 11.47 ± 0.04 Å
• b: 13.33 ± 0.04 Å
• c: 19.23 ± 0.05 Å
• α: 90°
• β: 122.3 ± 0.14°
• γ: 90°
• Cell volume: 2485 ± 14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3251
• Residual factor for significantly intense reflections: 0.1427
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No