Information card for entry 7056255

Structure parameters

• Formula: C13 H22 Cd N4 O8
• Calculated formula: C13 H22 Cd N4 O8
• Title of publication: Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands
• Authors of publication: Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 5151 - 5160
• a: 12.8322 ± 0.0012 Å
• b: 10.9479 ± 0.001 Å
• c: 12.991 ± 0.0012 Å
• α: 90°
• β: 98.115 ± 0.002°
• γ: 90°
• Cell volume: 1806.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No