Information card for entry 4319030

Structure parameters

• Formula: C37 H65 Cd2 Cl2 N7 O11 S4
• Calculated formula: C37 H65 Cd2 Cl2 N7 O11 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: 9.1633 ± 0.0002 Å
• b: 15.1298 ± 0.0006 Å
• c: 18.9463 ± 0.0008 Å
• α: 99.5466 ± 0.0016°
• β: 93.106 ± 0.002°
• γ: 93.443 ± 0.002°
• Cell volume: 2580.15 ± 0.16 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No