Information card for entry 7134146

Structure parameters

• Formula: C72 H75 F18 Fe N11 P2
• Calculated formula: C72 H75 F18 Fe N11 P2
• Title of publication: Coordination-induced axial chirality controls the metal-centred configuration in a stereogenic-at-iron catalyst.
• Authors of publication: Buchberger, Benedikt; Demirel, Nemrud; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 9
• Pages of publication: 1894 - 1897
• a: 12.8662 ± 0.0001 Å
• b: 15.8429 ± 0.0002 Å
• c: 20.5929 ± 0.0002 Å
• α: 70.328 ± 0.001°
• β: 85.434 ± 0.001°
• γ: 76.254 ± 0.001°
• Cell volume: 3839.41 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No