Information card for entry 7215766

Structure parameters

• Formula: C30 H40 Br2 Cd N4 O12
• Calculated formula: C30 H40 Br2 Cd N4 O12
• Title of publication: Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters
• Authors of publication: Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 5134
• a: 8.4362 ± 0.0005 Å
• b: 10.7119 ± 0.0007 Å
• c: 19.9504 ± 0.0017 Å
• α: 94.185 ± 0.006°
• β: 102.2 ± 0.006°
• γ: 94.855 ± 0.005°
• Cell volume: 1748.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No