Information card for entry 4120527

Structure parameters

• Formula: C59.5 H74.5 B4 F16 Fe2 N17 O0.5
• Calculated formula: C59.5 H74.5 B4 F16 Fe2 N17 O0.5
• Title of publication: Remarkable Scan Rate Dependence for a Highly Constrained Dinuclear Iron(II) Spin Crossover Complex with a Wide Thermal Hysteresis Loop.
• Authors of publication: Kulmaczewski, Rafal; Olguín, Juan; Kitchen, Jonathan A.; Feltham, Humphrey L. C.; Jameson, Guy N. L.; Tallon, Jeffery L.; Brooker, Sally
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 878 - 881
• a: 16.422 ± 0.002 Å
• b: 12.2868 ± 0.0016 Å
• c: 35.081 ± 0.005 Å
• α: 90°
• β: 93.898 ± 0.008°
• γ: 90°
• Cell volume: 7062.1 ± 1.6 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.2793
• Weighted residual factors for all reflections included in the refinement: 0.3093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No