Information card for entry 8107440

Structure parameters

• Formula: C22 H26 N6 O8 Zn
• Calculated formula: C22 H26 N6 O8 Zn
• Title of publication: Crystal structure of bis(dimethylammonium) poly[{μ4-1,1ʹ-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato)-κ6 N 4 O 2}zinc(II)], C22H26N6O8Zn
• Authors of publication: Xia, Yu-Pei; Huang, Yu-Xin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 359 - 360
• a: 10.982 ± 0.0008 Å
• b: 10.526 ± 0.0007 Å
• c: 12.098 ± 0.0011 Å
• α: 90°
• β: 118.661 ± 0.002°
• γ: 90°
• Cell volume: 1227.13 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.049
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No