Information card for entry 2004567

Structure parameters

• Chemical name: Ferrocinium tetrachloroantimonate.
• Formula: C10 H10 Cl4 Fe Sb
• Calculated formula: C10 H10 Cl4 Fe Sb
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[Sb](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Ferrocenium Tetrachloroantimonate
• Authors of publication: Yamin, B. M.; Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Shawkataly, O. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 600 - 602
• a: 10.733 ± 0.001 Å
• b: 17.017 ± 0.002 Å
• c: 7.683 ± 0.0001 Å
• α: 90°
• β: 97.49 ± 0.01°
• γ: 90°
• Cell volume: 1391.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.0618
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No