Information card for entry 7039974

Structure parameters

• Formula: C33 H12 As2 Cl2 F12 Hg3 Mo2 O4
• Calculated formula: C33 H12 As2 Cl2 F12 Hg3 Mo2 O4
• SMILES: C(#[O])[Mo]12345(C#[O])([cH]6[cH]1[cH]2[cH]3[cH]46)[As]1[As]5[Mo]23451(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51.c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]2.C(Cl)Cl
• 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: 12.7941 ± 0.0003 Å
• b: 13.4465 ± 0.0004 Å
• c: 13.5405 ± 0.0005 Å
• α: 60.58 ± 0.003°
• β: 71.346 ± 0.003°
• γ: 69.203 ± 0.002°
• Cell volume: 1866.34 ± 0.11 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0425
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No