Information card for entry 7056258

Structure parameters

• Formula: C11 H16 N4 O7 Zn
• Calculated formula: C11 H16 N4 O7 Zn
• 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: 12.3977 ± 0.0011 Å
• b: 12.6699 ± 0.0012 Å
• c: 9.4124 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1478.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No