Information card for entry 7020175

Structure parameters

• Formula: C79 H67 Cl3 F12 Ir2 N8 O7 P2 S2
• Calculated formula: C79 H61 Cl3 F12 Ir2 N8 O7 P2 S2
• Title of publication: Stereochemistry controlled by an asymmetric sulfur atom, and a rare example of a kryptoracemate.
• Authors of publication: Bouamaied, Imenne; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10276 - 10285
• a: 10.9914 ± 0.0011 Å
• b: 26.259 ± 0.003 Å
• c: 32.326 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9330 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No