Information card for entry 4076146

Structure parameters

• Formula: C36 H52 Cl5 Fe2 Hg4 N
• Calculated formula: C36 H52 Cl5 Fe2 Hg4 N
• SMILES: [Hg]1(Cl)[Cl]2([Hg](Cl)[c]34[Fe]56789%10%11([cH]([cH]36)[cH]5[c]147)[cH]1[cH]%11[cH]8[cH]9[cH]%101)[Hg](Cl)[c]13[c]4([Hg]2Cl)[Fe]2567891([cH]3[cH]2[cH]45)[cH]1[cH]6[cH]7[cH]9[cH]81.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 9.8089 ± 0.0018 Å
• b: 22.226 ± 0.004 Å
• c: 10.107 ± 0.002 Å
• α: 90°
• β: 99.354 ± 0.019°
• γ: 90°
• Cell volume: 2174.2 ± 0.7 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No