Information card for entry 4072953

Structure parameters

• Common name: 3.CH~2~Cl~2~
• Chemical name: η^5^-[bis(η^5^-cyclopentadienyl)iron(II)]-\ κ^5^<i>C</i>^1^,<i>C</i>^2^,<i>C</i>^3^,<i>C</i>^4^,C^5^-thallium(I) bis[tris(pentafluorophenyl)boron]amide dichloromethane solvate
• Formula: C47 H14 B2 Cl2 F30 Fe N Tl
• Calculated formula: C47 H14 B2 Cl2 F30 Fe N Tl
• SMILES: [Tl+].[Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81.C(Cl)Cl.c1(c(c(c(c(c1F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)F)F)F)F
• Title of publication: Mono(arene) Complexes of Thallium(I) Supported by a Weakly Coordinating Anion
• Authors of publication: Sarazin, Yann; Kaltsoyannis, Nikolas; Wright, Joseph A.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1811
• a: 11.2982 ± 0.0007 Å
• b: 13.0684 ± 0.001 Å
• c: 16.363 ± 0.002 Å
• α: 94.492 ± 0.009°
• β: 102.001 ± 0.008°
• γ: 97.92 ± 0.006°
• Cell volume: 2326.3 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No