Information card for entry 8106898

Structure parameters

• Formula: C30 H30 N10 O12 Zn
• Calculated formula: C30 H30 N10 O12 Zn
• Title of publication: Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2 O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
• Authors of publication: Jian, Shou-Jun; Liang, Zhen; Yang, Yan-Qiu; Yang, Huai-Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 431 - 433
• a: 7.6409 ± 0.0015 Å
• b: 10.438 ± 0.002 Å
• c: 11.246 ± 0.002 Å
• α: 90.86 ± 0.03°
• β: 107.87 ± 0.03°
• γ: 100.22 ± 0.03°
• Cell volume: 837.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No