Information card for entry 8103311

Structure parameters

• Chemical name: Tetraaquabis[1-(carboxylatomethyl)-1,3-benzimidazol-3-ium-3-acetato] zinc(II) monohydrate
• Formula: C22 H28 N4 O13 Zn
• Calculated formula: C22 H28 N4 O13 Zn
• Title of publication: Crystal structure of tetraaquabis(1,3-benzimidazol-3-ium-1,3-diacetato)zinc(II) monohydrate, Zn(C11H9N2O4)2(H2O)4 · H2O
• Authors of publication: Yang Shen; Duan Qiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 121
• a: 7.4065 ± 0.0015 Å
• b: 9.41 ± 0.0019 Å
• c: 9.6691 ± 0.0019 Å
• α: 81.61 ± 0.03°
• β: 75.99 ± 0.02°
• γ: 77.98 ± 0.03°
• Cell volume: 636.3 ± 0.2 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: 0.0332
• Residual factor for significantly intense reflections: 0.03108
• Weighted residual factors for significantly intense reflections: 0.09107
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No