Information card for entry 4319031

Structure parameters

• Formula: C39 H70 Cl2 N6 O11 S4 Zn2
• Calculated formula: C39 H70 Cl2 N6 O11 S4 Zn2
• 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: 11.7254 ± 0.0002 Å
• b: 34.9029 ± 0.0007 Å
• c: 13.6584 ± 0.0002 Å
• α: 90°
• β: 109.482 ± 0.0011°
• γ: 90°
• Cell volume: 5269.66 ± 0.16 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: 0.0869
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No