Information card for entry 1519317

Structure parameters

• Formula: C10 H10 Fe I3
• Calculated formula: C12 H12 Fe I3
• SMILES: [I-](I)I.[Fe]123456789%10([cH]%11[cH]4[cH]2[cH]5[cH]3[cH]1%11)[cH]1[cH]9[cH]6[cH]%10[cH]7[cH]81
• Title of publication: C10H10FeI3
• Authors of publication: Bricklebank, Neil; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 831
• a: 8.461 ± 0.0006 Å
• b: 8.461 ± 0.0006 Å
• c: 16.988 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1053.21 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No