Information card for entry 4338259

Structure parameters

• Formula: C55 H40 Fe N6 Se2
• Calculated formula: C55 H40 Fe N6 Se2
• Title of publication: Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.
• Authors of publication: Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5246 - 5252
• a: 15.7237 ± 0.0004 Å
• b: 35.9821 ± 0.0007 Å
• c: 18.9825 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10739.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.2059
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No