Information card for entry 4324996

Structure parameters

• Formula: C85.5 H115.5 K2 N12.5 O19.5 Zn2
• Calculated formula: C85.5 H115.5 K2 N12.5 O19.5 Zn2
• Title of publication: Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand
• Authors of publication: Glen E. Alliger; Peter Müller; Loi H. Do; Christopher C. Cummins; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4107 - 4115
• a: 22.2621 ± 0.0014 Å
• b: 35.414 ± 0.002 Å
• c: 27.293 ± 0.002 Å
• α: 90°
• β: 112.816 ± 0.001°
• γ: 90°
• Cell volume: 19834 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No