Information card for entry 2005216

Structure parameters

• Chemical name: calcium o-tolidine-6,6'-disulfonate dodecahydrate
• Formula: C28 H54 Ca N4 O24 S4
• Calculated formula: C28 H44 Ca N4 O24 S4
• 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: 13.163 ± 0.007 Å
• b: 16.122 ± 0.007 Å
• c: 11.814 ± 0.005 Å
• α: 93.23 ± 0.04°
• β: 112.97 ± 0.04°
• γ: 106.5 ± 0.04°
• Cell volume: 2173 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.05
• 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