Information card for entry 7703920

Structure parameters

• Formula: C73 H90 B2 Cl4 Fe3 N22 O5
• Calculated formula: C73 H90 B2 Cl4 Fe3 N22 O5
• Title of publication: Manipulating the spin crossover behavior in a series of {FeFe^II} complexes.
• Authors of publication: Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5949 - 5956
• a: 18.4576 ± 0.0012 Å
• b: 20.1964 ± 0.0013 Å
• c: 23.1855 ± 0.0012 Å
• α: 90°
• β: 113.46°
• γ: 90°
• Cell volume: 7928.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.096
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No