Information card for entry 7039972

Structure parameters

• Formula: C26 H7 Cl2 F12 Hg3 Mo O2 P3
• Calculated formula: C26 H7 Cl2 F12 Hg3 Mo O2 P3
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]162345(C#[O])(C#[O])P2P1P62.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: 11.1294 ± 0.0002 Å
• b: 11.55 ± 0.0002 Å
• c: 14.1425 ± 0.0003 Å
• α: 114.075 ± 0.002°
• β: 104.952 ± 0.002°
• γ: 91.314 ± 0.002°
• Cell volume: 1586.58 ± 0.06 ų
• Cell temperature: 123 ± 0.11 K
• Ambient diffraction temperature: 123 ± 0.11 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: 0.0269
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No