Information card for entry 7717203

Structure parameters

• Formula: C46 H56 Fe N5 O10
• Calculated formula: C46 H56 Fe N5 O10
• Title of publication: A single H-bond triggers the formation of a cleft around Et3NH+ through bond rearrangement and rotations of arms in both Co(III) and Fe(III) complexes
• Authors of publication: Paik, Somnath; Ray, Manabendra
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.1909 ± 0.0007 Å
• b: 12.1909 ± 0.0007 Å
• c: 30.773 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4573.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No