Information card for entry 7039977

Structure parameters

• Formula: C50 H10 F24 Hg6 Mo2 O4 Sb2
• Calculated formula: C50 H10 F24 Hg6 Mo2 O4 Sb2
• SMILES: C(#[O])[Mo]12345([cH]6[cH]1[cH]2[cH]3[cH]46)([Sb]1[Mo]2346(C#[O])(C#[O])([cH]7[cH]6[cH]4[cH]3[cH]27)[Sb]51)C#[O].c12c(c(F)c(F)c(c1F)F)[Hg]c1c([Hg]c3c(c(F)c(c(c3F)F)F)[Hg]2)c(F)c(F)c(F)c1F.c12c(c(F)c(F)c(F)c1F)[Hg]c1c(c(F)c(F)c(F)c1F)[Hg]c1c(c(F)c(c(c1F)F)F)[Hg]2
• Title of publication: Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes.
• Authors of publication: Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13742 - 13749
• a: 11.0707 ± 0.0002 Å
• b: 7.4335 ± 0.0002 Å
• c: 33.0847 ± 0.0008 Å
• α: 90°
• β: 95.819 ± 0.002°
• γ: 90°
• Cell volume: 2708.64 ± 0.11 ų
• Cell temperature: 122.8 ± 0.6 K
• Ambient diffraction temperature: 122.8 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No