Information card for entry 4342732

Structure parameters

• Formula: C38 H36 Fe N6 O2 S2
• Calculated formula: C38 H36 Fe N6 O2 S2
• Title of publication: Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.
• Authors of publication: Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3773 - 3780
• a: 12.69 ± 0.002 Å
• b: 15.807 ± 0.002 Å
• c: 18.999 ± 0.003 Å
• α: 90°
• β: 93.86 ± 0.004°
• γ: 90°
• Cell volume: 3802.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1684
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No