Information card for entry 7111754

Structure parameters

• Formula: C27.1 H56.2 N8 O5 S6 Sn4
• Calculated formula: C27.095 H52 N8 O4.999 S6 Sn4
• Title of publication: Directed derivatization of organotin sulfide compounds: synthesis and self-assembly of an SnS backpack-like cage and a CuSnS ternary cluster
• Authors of publication: Halvagar, Mohammad Reza; Fard, Zohreh Hassanzadeh; Dehnen, Stefanie
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4716 - 4718
• a: 11.614 ± 0.002 Å
• b: 25.211 ± 0.005 Å
• c: 16.472 ± 0.003 Å
• α: 90°
• β: 96.01 ± 0.03°
• γ: 90°
• Cell volume: 4796.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No