Information card for entry 4334390

Structure parameters

• Formula: C156 H242 F18 Fe6 N26 O32 S6
• Calculated formula: C155.999 H233.999 F18 Fe6 N25.9998 O32.0002 S6
• Title of publication: Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications
• Authors of publication: Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3920 - 3932
• a: 22.5337 ± 0.0007 Å
• b: 22.5337 ± 0.0007 Å
• c: 30.53 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13425.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes