Information card for entry 7251741

Structure parameters

• Formula: C34 H28 Fe N5 O6
• Calculated formula: C34 H28 Fe N5 O6
• Title of publication: Reverse micelle synthesis and downsizing effects in iron(iii) spin crossover materials.
• Authors of publication: Lazaro, Sharon E.; Harding, Phimphaka; Boonyang, Upsorn; Telfer, Shane G.; Phonsri, Wasinee; Murray, Keith S.; Harding, David J.
• Journal of publication: RSC advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 5707 - 5715
• a: 10.2636 ± 0.0011 Å
• b: 11.9494 ± 0.0011 Å
• c: 12.8936 ± 0.0012 Å
• α: 85.389 ± 0.006°
• β: 78.976 ± 0.006°
• γ: 67.687 ± 0.005°
• Cell volume: 1435.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1553
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.2785
• Weighted residual factors for all reflections included in the refinement: 0.3282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No