Information card for entry 1546816

Structure parameters

• Formula: C51 H74 Cl7 Ir N4 Si2
• Calculated formula: C51 H74 Cl7 Ir N4 Si2
• SMILES: [IrH2]12(Cl)([Si]3([N](C(C)(C)C)=C(N3C(C)(C)C)c3ccccc3)c3c(cc(cc3C1)C)C)[Si]1([N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1)c1c(cc(cc1C2)C)C.ClCCl.ClCCl.ClCCl
• Title of publication: Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes
• Authors of publication: Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura
• Journal of publication: Chemical Communications
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 74
• Pages of publication: 10275 - 10278
• a: 10.0773 ± 0.0004 Å
• b: 13.0942 ± 0.0004 Å
• c: 22.7288 ± 0.0008 Å
• α: 83.648 ± 0.003°
• β: 87.998 ± 0.003°
• γ: 76.732 ± 0.003°
• Cell volume: 2901.04 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No