Information card for entry 7004886

Structure parameters

• Formula: C53 H89.5 Cd2 Cl2 N10.5 O10 S2
• Calculated formula: C53 H89.5 Cd2 Cl2 N10.5 O10 S2
• Title of publication: A cadmium hydroxide complex of a N3S-donor ligand containing two hydrogen bond donors: synthesis, characterization, and CO2 reactivity.
• Authors of publication: Allred, Russell A.; Huefner, Sara A.; Rudzka, Katarzyna; Arif, Atta M.; Berreau, Lisa M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 351 - 357
• a: 12.8238 ± 0.0002 Å
• b: 16.8615 ± 0.0002 Å
• c: 15.0661 ± 0.0002 Å
• α: 90°
• β: 90.7013 ± 0.0006°
• γ: 90°
• Cell volume: 3257.48 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No