Information card for entry 7210727

Structure parameters

• Formula: C16 H6 Cd N2 O12
• Calculated formula: C16 H6 Cd N2 O12
• 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: 14.6756 ± 0.0007 Å
• b: 14.6756 ± 0.0007 Å
• c: 12.8469 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2396.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0782
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No