Information card for entry 4336382

Structure parameters

• Formula: C43 H41.5 Cl3 N17.5 O13 Zn2
• Calculated formula: C43 H40.5 Cl3 N17.5 O13 Zn2
• Title of publication: Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation
• Authors of publication: Daniel L. Reger; Andrea E. Pascui; Perry J. Pellechia; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11638 - 11649
• a: 10.3497 ± 0.0009 Å
• b: 42.817 ± 0.004 Å
• c: 11.9166 ± 0.0009 Å
• α: 90°
• β: 101.797 ± 0.002°
• γ: 90°
• Cell volume: 5169.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No