Information card for entry 7059689

Structure parameters

• Chemical name: salt 4
• Formula: C8 H14 Fe I3 N O3
• Calculated formula: C8 H14 Fe I3 N O3
• SMILES: I[Fe](I)(I)(C#[O])(C#[O])C#[O].[NH3+]CCCCC
• 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: 8.092 ± 0.002 Å
• b: 8.2197 ± 0.0008 Å
• c: 13.3496 ± 0.0016 Å
• α: 100.214 ± 0.009°
• β: 94.639 ± 0.016°
• γ: 92.457 ± 0.016°
• Cell volume: 869.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.292
• Weighted residual factors for all reflections included in the refinement: 0.3462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No