Information card for entry 4319028

Structure parameters

• Formula: C17 H31 Cd Cl2 N3 O8 S2
• Calculated formula: C17 H31 Cd Cl2 N3 O8 S2
• 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: 15.1058 ± 0.0002 Å
• b: 9.9859 ± 0.0003 Å
• c: 18.2415 ± 0.0005 Å
• α: 90°
• β: 109.724 ± 0.0016°
• γ: 90°
• Cell volume: 2590.2 ± 0.11 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No