Information card for entry 4320195

Structure parameters

• Common name: 99367a
• Formula: C74 H158 Fe2 K4 N22 O16
• Calculated formula: C74 H158 Fe2 K4 N22 O16
• 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: 30.663 ± 0.003 Å
• b: 11.4858 ± 0.0011 Å
• c: 30.708 ± 0.003 Å
• α: 90°
• β: 106.096 ± 0.002°
• γ: 90°
• Cell volume: 10391.1 ± 1.8 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: 0.0629
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.1287
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No