Information card for entry 4076145

Structure parameters

• Formula: C12 H14 Cl2 Fe Hg2 O S
• Calculated formula: C12 H14 Cl2 Fe Hg2 O S
• SMILES: [Hg]1(Cl)[c]23[c]4([Hg](Cl)[O]1=S(C)C)[Fe]1567892([cH]2[cH]8[cH]9[cH]5[cH]12)[cH]([cH]46)[cH]37
• Title of publication: Rational Synthesis and Complexation Behavior of the Bidentate Lewis Acid 1,2-Bis(chloromercury)ferrocene
• Authors of publication: Venkatasubbaiah, Krishnan; Bats, Jan W.; Rheingold, Arnold L.; Jäkle, Frieder
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 6043
• a: 7.4804 ± 0.0013 Å
• b: 7.7155 ± 0.0013 Å
• c: 13.743 ± 0.003 Å
• α: 85.591 ± 0.012°
• β: 88.926 ± 0.015°
• γ: 80.568 ± 0.018°
• Cell volume: 780.1 ± 0.3 ų
• Cell temperature: 162 ± 2 K
• Ambient diffraction temperature: 162 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No