Information card for entry 4349457

Structure parameters

• Formula: C18 H17 N3 O10 Zn
• Calculated formula: C18 H11 N3 O10 Zn
• Title of publication: Novel photo- and/or thermochromic MOFs derived from bipyridinium carboxylate ligands
• Authors of publication: Zhang, Chenghui; Sun, Libo; Zhang, Chuanqi; Wan, Song; Liang, Zhiqiang; Li, Jiyang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 814
• a: 9.6695 ± 0.0019 Å
• b: 10.135 ± 0.003 Å
• c: 10.898 ± 0.002 Å
• α: 86.47 ± 0.03°
• β: 89.99 ± 0.03°
• γ: 62.48 ± 0.02°
• Cell volume: 944.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No