Information card for entry 4334394

Structure parameters

• Formula: C28 H38 Co F6 N6 O6 S2
• Calculated formula: C28 H38 Co F6 N6 O6 S2
• 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: 11.1598 ± 0.0006 Å
• b: 16.22 ± 0.0009 Å
• c: 18.7779 ± 0.0011 Å
• α: 90°
• β: 94.614 ± 0.002°
• γ: 90°
• Cell volume: 3388 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No