Information card for entry 4076147

Structure parameters

• Formula: C45 H37 Cl8 Fe2 Hg4 P
• Calculated formula: C45 H37 Cl8 Fe2 Hg4 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Hg](Cl)[c]12[c]3([Hg](Cl)[Cl]4[Hg](Cl)[c]56[c]7([Hg]4Cl)[Fe]489%10%11%125([cH]5[cH]4[cH]8[cH]9[cH]%105)[cH]7[cH]%11[cH]6%12)[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]2[cH]8[cH]39.ClC(Cl)Cl
• 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: 10.1136 ± 0.0013 Å
• b: 22.411 ± 0.003 Å
• c: 21.073 ± 0.003 Å
• α: 90°
• β: 90.195 ± 0.002°
• γ: 90°
• Cell volume: 4776.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No