Information card for entry 8103168

Structure parameters

• Formula: C26 H28 N2 O18 S2
• Calculated formula: C26 H28 N2 O18 S2
• Title of publication: Crystal structure of 1,1'-dihydro-[4,4'-bipyridine]-1,1'-diium-bis(2-sulfonatoterephthalic acid) — water (1:4), (C10H10N2)(C8H5O7S)2 · 4H2O
• Authors of publication: Xin-Xiang Lei; An-Jiang Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 317
• a: 8.4687 ± 0.0005 Å
• b: 9.467 ± 0.0005 Å
• c: 10.4823 ± 0.0006 Å
• α: 73.007 ± 0.001°
• β: 71.567 ± 0.001°
• γ: 89.582 ± 0.001°
• Cell volume: 759.11 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No