Information card for entry 7056262

Structure parameters

• Formula: C15 H20 N4 O4
• Calculated formula: C15 H20 N4 O4
• 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
• a: 12.259 ± 0.004 Å
• b: 8.409 ± 0.003 Å
• c: 32.758 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3376.9 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2112
• 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