Information card for entry 7107164

Structure parameters

• Formula: C54 H72 Cl30 D10 N4 S8 Sn2
• Calculated formula: C54.002 H72 Cl30.006 D10.002 N4 S8 Sn2
• Title of publication: Solvent-solvent and solvent-solute interactions in a 3D chloroform clathrate with diorganotin macrocycles in the nano-sized pores
• Authors of publication: Iran Rojas-Leon Jorge A. Guerrero-Alvarez Javier Hernandez-Paredes Herbert Hopfl
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 401
• a: 13.896 ± 0.003 Å
• b: 16.21 ± 0.004 Å
• c: 21.14 ± 0.005 Å
• α: 90°
• β: 101.878 ± 0.004°
• γ: 90°
• Cell volume: 4659.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No