Information card for entry 8105858

Structure parameters

• Formula: C15 H13 N5 O9 Zn2
• Calculated formula: C15 H13 N5 O9 Zn2
• Title of publication: Crystal structure of poly[triaqua-(μ4-benzene-1,3,5-tricarboxylato-κ5 O 1,O 2:O 3:O 4:O 5)-(μ2-5-(3-pyridyl)tetrazolato-κ2 N 1:N 3)dizinc(II)], C15H13N5O9Zn2
• Authors of publication: Meng, Gaoxiang; Li, Qiang; Yang, Yongming
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 809 - 811
• a: 6.7739 ± 0.0013 Å
• b: 14.16 ± 0.003 Å
• c: 18.506 ± 0.004 Å
• α: 90°
• β: 97.908 ± 0.004°
• γ: 90°
• Cell volume: 1758.2 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No