Information card for entry 4337725

Structure parameters

• Formula: C69.5 H98.5 N8.5 O6 Zn
• Calculated formula: C69.5 H95.9997 N8.50001 O6 Zn
• 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: 23.772 ± 0.003 Å
• b: 23.772 ± 0.003 Å
• c: 23.772 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13434 ± 3 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: 0.0586
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No