Information card for entry 7059687

Structure parameters

• Chemical name: salt 1
• Formula: C5 H8 Fe I3 N O3
• Calculated formula: C5 H8 Fe I3 N O3
• SMILES: I[Fe](I)(I)(C#[O])(C#[O])C#[O].[NH3+]CC
• Title of publication: The monoiron anion fac-[Fe(CO)3I3]− and its organic aminium salts: their preparation, CO-release, and cytotoxicity
• Authors of publication: Yang, Xiuqin; Jin, Jing; Guo, Zhuming; Xiao, Zhiyin; Chen, Naiwen; Jiang, Xiujuan; He, Yi; Liu, Xiaoming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 10300 - 10308
• a: 9.2096 ± 0.0008 Å
• b: 14.5251 ± 0.0012 Å
• c: 10.446 ± 0.0009 Å
• α: 90°
• β: 91.739 ± 0.007°
• γ: 90°
• Cell volume: 1396.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1131
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No