Information card for entry 7236451

Structure parameters

• Formula: C42 H36 Cd2 N8 O16
• Calculated formula: C42 H22 Cd2 N8 O16
• 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: 19.575 ± 0.004 Å
• b: 15.17 ± 0.003 Å
• c: 14.24 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4228.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No