Information card for entry 7703917

Structure parameters

• Chemical name: bnbpenTp+300k
• Formula: C78 H118 B2 Fe3 N22 O14
• Calculated formula: C72 H78 B2 Fe3 N22
• 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: 23.678 ± 0.007 Å
• b: 21.345 ± 0.008 Å
• c: 22.221 ± 0.009 Å
• α: 90°
• β: 116.701 ± 0.009°
• γ: 90°
• Cell volume: 10033 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• 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: 0.1155
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No