Information card for entry 4337724

Structure parameters

• Formula: C72 H101 Fe N9 O6
• Calculated formula: C71.9995 H100.997 Fe N9 O6
• Title of publication: Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities.
• Authors of publication: Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Meyer, Karsten
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2763 - 2765
• a: 24.2185 ± 0.0014 Å
• b: 24.2185 ± 0.0014 Å
• c: 24.2185 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14205 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No