Information card for entry 4320197

Structure parameters

• Common name: 00082a
• Formula: C74 H158 K4 N22 O16 Zn2
• Calculated formula: C74 H158 K4 N22 O16 Zn2
• Title of publication: Hydrogen-Bonding Cavities about Metal Ions: Synthesis, Structure, and Physical Properties for a Series of Monomeric M-OH Complexes Derived from Water
• Authors of publication: Cora E. MacBeth; Brian S. Hammes; Victor G. Young,; A. S. Borovik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4733 - 4741
• a: 30.675 ± 0.002 Å
• b: 11.5035 ± 0.0008 Å
• c: 30.727 ± 0.002 Å
• α: 90°
• β: 106.415 ± 0.001°
• γ: 90°
• Cell volume: 10400.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No