Information card for entry 8106806

Structure parameters

• Formula: C22 H18 N2 O7 Zn
• Calculated formula: C22 H18 N2 O7 Zn
• Title of publication: Crystal structure of catena-poly[diaquabis(μ2-3-carboxybenzene-1,2-dicarboxylato-1:2κ2 O:O′)-(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)-benzene-1:1′κ2 N:N′)dizinc(II)], [Zn2(C26H26N4)(C9H4O6)2(H2O)2]
• Authors of publication: Xu, Chunying; Li, Jili; Lei, Song; Li, Shenshen; Su, Tong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 135 - 138
• a: 8.1731 ± 0.0016 Å
• b: 8.715 ± 0.0017 Å
• c: 15.396 ± 0.003 Å
• α: 75.4 ± 0.03°
• β: 79.26 ± 0.03°
• γ: 71.82 ± 0.03°
• Cell volume: 1001.3 ± 0.4 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: 0.0345
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No