Information card for entry 8107489

Structure parameters

• Formula: C61 H50 Cl2 Fe2 I12 N12
• Calculated formula: C61 H50 Cl2 Fe2 I12 N12
• Title of publication: Crystal structure of tris(2,2′-bipyridine-κ2 N,N′)iron(II) triiodide – dichloromethane (2/1), C61H50Cl2Fe2I12N12
• Authors of publication: Cui, Chuanguo; Zhang, Jinxiao; Xiao, Zhiyin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 541 - 543
• a: 13.0247 ± 0.0004 Å
• b: 17.0204 ± 0.0005 Å
• c: 34.1475 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7570 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No