Information card for entry 7108174

Structure parameters

• Chemical name: tetradecalithium-tetrakis[2,6-dimesitylphenyl-disulfido-silanolate] dichloride-5-benzene
• Formula: C126 H130 Cl2 Li14 O4 S8 Si4
• Calculated formula: C126 H130 Cl2 Li14 O4 S8 Si4
• Title of publication: A 32 vertex polyhedron via supramolecular assembly of silanedithiolate silanolate units
• Authors of publication: Stefan Spirk; Ferdinand Belaj; Natascha Hurkes; Rudolf Pietschnig
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8398
• a: 14.445 ± 0.002 Å
• b: 16.804 ± 0.003 Å
• c: 27.691 ± 0.003 Å
• α: 102.661 ± 0.013°
• β: 90.088 ± 0.012°
• γ: 110.203 ± 0.013°
• Cell volume: 6132.7 ± 1.7 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No