Information card for entry 4315417

Structure parameters

• Formula: C77 H80 Cl2 F12 N4 O12 S6
• Calculated formula: C77 H80 Cl2 F12 N4 O12 S6
• Title of publication: Reactions of α-Diimine Ligands with the in Situ Generated "S(OTf)2" Synthon
• Authors of publication: Caleb D. Martin; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4324 - 4330
• a: 20.459 ± 0.004 Å
• b: 12.219 ± 0.002 Å
• c: 17.293 ± 0.004 Å
• α: 90°
• β: 110.96 ± 0.03°
• γ: 90°
• Cell volume: 4037 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No