Information card for entry 7116402

Structure parameters

• Formula: C192 H234 Cl8 Fe4 N42 O44
• Calculated formula: C192 H234 Cl8 Fe4 N42 O44
• Title of publication: Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties
• Authors of publication: Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 788
• a: 19.7723 ± 0.0013 Å
• b: 19.7731 ± 0.0014 Å
• c: 20.282 ± 0.002 Å
• α: 115.476 ± 0.002°
• β: 116.397 ± 0.002°
• γ: 94.961 ± 0.001°
• Cell volume: 6022.1 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No