Information card for entry 7705751

Structure parameters

• Formula: C25 H40 F3 Ir N2 O5 S Si2
• Calculated formula: C25 H40 F3 Ir N2 O5 S Si2
• Title of publication: 2-Pyridone-stabilized iridium silylene/silyl complexes: structure and QTAIM analysis.
• Authors of publication: Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Fernández-Alvarez, Francisco J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17665 - 17673
• a: 10.4264 ± 0.0006 Å
• b: 16.6127 ± 0.0009 Å
• c: 18.0892 ± 0.001 Å
• α: 90°
• β: 90.609 ± 0.001°
• γ: 90°
• Cell volume: 3133.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No