Information card for entry 4319027

Structure parameters

• Formula: C36 H67 Cd2 Cl2 N7 O10 S4
• Calculated formula: C36 H67 Cd2 Cl2 N7 O10 S4
• Title of publication: Chemistry of a Binuclear Cadmium(II) Hydroxide Complex: Formation from Water, CO2 Reactivity, and Comparison to a Zinc Analog
• Authors of publication: Russell A. Allred; Lenore H. McAlexander; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6790 - 6801
• a: 11.4211 ± 0.0003 Å
• b: 44.9639 ± 0.0013 Å
• c: 20.3932 ± 0.0006 Å
• α: 90°
• β: 101.564 ± 0.0014°
• γ: 90°
• Cell volume: 10260.1 ± 0.5 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• 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: 0.1023
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No