Information card for entry 7134893

Structure parameters

• Formula: C29 H29.5 B2 Fe N7.5 O
• Calculated formula: C29 H29.5 B2 Fe N7.5 O
• Title of publication: Chirality without compromise: identical spin crossover behavior between the racemate and the enantiopure Fe(II) complexes.
• Authors of publication: Becker, Jens-Georg; Sundaresan, Sriram; Carrella, Luca M.; Rentschler, Eva
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 71
• Pages of publication: 13389 - 13392
• a: 12.5019 ± 0.0005 Å
• b: 17.6496 ± 0.0005 Å
• c: 13.4172 ± 0.0005 Å
• α: 90°
• β: 94.69 ± 0.003°
• γ: 90°
• Cell volume: 2950.64 ± 0.18 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 6
• 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: 0.1007
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No