Information card for entry 7236450

Structure parameters

• Formula: C72 H44 Br4 Cd4 N8 O23
• Calculated formula: C72 H44 Br4 Cd4 N8 O23
• Title of publication: Metal‒organic frameworks based on bipyridinium carboxylate: photochromism and selective vapochromism
• Authors of publication: Zhang, Chenghui; Sun, Libo; Yan, Yan; Liu, Yuchuan; Liang, Zhiqiang; Liu, Yunling; Li, Jiyang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 2084
• a: 15.3906 ± 0.001 Å
• b: 7.7582 ± 0.0005 Å
• c: 17.3185 ± 0.0012 Å
• α: 90°
• β: 109.331 ± 0.001°
• γ: 90°
• Cell volume: 1951.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No