Information card for entry 2213083

Structure parameters

• Chemical name: 1-(chloridomercurio)ferrocene
• Formula: C10 H9 Cl Fe Hg
• Calculated formula: C10 H9 Cl Fe Hg
• SMILES: [Hg](Cl)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: A monoclinic polymorph of 1-(chloridomercurio)ferrocene
• Authors of publication: Romanov, Aleksander S.; Yakovenko, Andrey A.; Antipin, Mikhail Yu.; Lindline, Jennifer; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1297 - m1299
• a: 24.618 ± 0.011 Å
• b: 5.997 ± 0.003 Å
• c: 14.136 ± 0.007 Å
• α: 90°
• β: 106.288 ± 0.006°
• γ: 90°
• Cell volume: 2003.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes