Information card for entry 8103071

Structure parameters

• Chemical name: 2,2'-(1,2-propanediyl)bis(1H-benzimidazole) (2,3-dihydroxybutanedioic acid)Zinc(II), C~19~H~15.47~N~4~O~3~Zn
• Formula: C19 H16 N4 O3 Zn
• Calculated formula: C19 H16 N4 O3 Zn
• Title of publication: Crystal structure of catena-[(5-sulfosalicylato-?2O,O')bis(?2-4-thiolatopyridinium-?2S:S)cadmium(II)] hydrate, Cd(C7H4O6S)(C5H5NS)2 · 2.5H2O
• Authors of publication: Jun-Xia Li; Zhong-Xiang Du
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 331
• a: 9.501 ± 0.005 Å
• b: 18.589 ± 0.005 Å
• c: 10.296 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.572 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1806.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0687
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No