Information card for entry 4342736

Structure parameters

• Formula: C40 H46 B2 Cl4 Fe N6 O2
• Calculated formula: C40 H46 B2 Cl4 Fe N6 O2
• 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: 14.0894 ± 0.0006 Å
• b: 15.399 ± 0.0005 Å
• c: 20.552 ± 0.0008 Å
• α: 90°
• β: 103.47 ± 0.004°
• γ: 90°
• Cell volume: 4336.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.2956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No