Information card for entry 2005215

Structure parameters

• Chemical name: calcium o-tolidine-6,6'-disulfonate tetrahydrate
• Formula: C14 H22 Ca N2 O10 S2
• Calculated formula: C14 H22 Ca N2 O10 S2
• Title of publication: Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate
• Authors of publication: Gunderman, B. J.; Squattrito, P. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1896 - 1901
• a: 9.003 ± 0.003 Å
• b: 8.896 ± 0.005 Å
• c: 24.832 ± 0.004 Å
• α: 90°
• β: 94.29 ± 0.03°
• γ: 90°
• Cell volume: 1983.2 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.87
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No