Information card for entry 8101756

Structure parameters

• Chemical name: iodoferrocene
• Formula: C10 H9 Fe I
• Calculated formula: C10 H9 Fe I
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81I
• Title of publication: Crystal structure of iodoferrocene, Fe(C~5~H~4~I)(C~5~H~5~)
• Authors of publication: G. Laus; K. Wurst; W. Stolz; H. Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 229 - 230
• a: 6.3676 ± 0.0002 Å
• b: 9.8475 ± 0.0004 Å
• c: 15.2298 ± 0.0006 Å
• α: 90°
• β: 93.015 ± 0.002°
• γ: 90°
• Cell volume: 953.66 ± 0.06 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No