Information card for entry 7210726

Structure parameters

• Formula: C16 H4 Br Cd N0 O8
• Calculated formula: C16 H4 Br Cd O8
• Title of publication: Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units
• Authors of publication: Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 3470
• a: 15.1245 ± 0.0009 Å
• b: 15.1245 ± 0.0009 Å
• c: 12.6105 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2498.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No