Information card for entry 7019407

Structure parameters

• Formula: C105.5 H117 Cl6 Fe3 K3 N15.5 O13
• Calculated formula: C100.13 H107 Cl6 Fe3 K3 N15.48 O12
• Title of publication: Synthesis and characterization of a tris(2-hydroxyphenyl)methane-based cryptand and its triiron(iii) complex.
• Authors of publication: Guillet, Gary L.; Sloane, Forrest T.; Dumont, Matthieu F.; Abboud, Khalil A.; Murray, Leslie J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7866 - 7869
• a: 22.8525 ± 0.0016 Å
• b: 22.8525 ± 0.0016 Å
• c: 22.8525 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11934.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No