Information card for entry 7029977

Structure parameters

• Formula: C26 H28 Br2 Cd N2 O8
• Calculated formula: C26 H24 Br2 Cd N2 O8
• Title of publication: Charge-distribution-related regioisomerism of photoresponsive metal-organic polymeric chains.
• Authors of publication: Sun, Jian-Ke; Wang, Peng; Chen, Cheng; Zhou, Xue-Jun; Wu, Li-Ming; Zhang, Yong-Fan; Zhang, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13441 - 13446
• a: 16.368 ± 0.002 Å
• b: 9.5792 ± 0.0011 Å
• c: 19.184 ± 0.003 Å
• α: 90°
• β: 113.3 ± 0.007°
• γ: 90°
• Cell volume: 2762.6 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No