Information card for entry 7705749

Structure parameters

• Formula: C24 H40 Cl Ir N2 O2 Si2
• Calculated formula: C24 H40 Cl Ir N2 O2 Si2
• SMILES: [Ir]12(Cl)([Si](Oc3[n]1ccc(c3)C)(C(C)C)C(C)C)[Si](Oc1[n]2ccc(c1)C)(C(C)C)C(C)C
• 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: 12.0235 ± 0.0006 Å
• b: 14.4027 ± 0.0007 Å
• c: 17.5331 ± 0.0008 Å
• α: 105.429 ± 0.0007°
• β: 103.493 ± 0.0006°
• γ: 94.0182 ± 0.0006°
• Cell volume: 2817.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0655
• 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: No
• Has Fobs: No