Information card for entry 4085143

Structure parameters

• Formula: C20 H31 B Cl2 F4 I2 Ir N6
• Calculated formula: C20 H31 B Cl2 F4 I2 Ir N6
• SMILES: [Ir]1(I)(I)(=C2N(C=CN2CCCC)CN2C=1N(C=C2)CCCC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].ClCCl
• Title of publication: Hydrolysis and Methanolysis of Silanes Catalyzed by Iridium(III) Bis-N-Heterocyclic Carbene Complexes: Influence of the Wingtip Groups
• Authors of publication: Aliaga-Lavrijsen, Mélanie; Iglesias, Manuel; Cebollada, Andrea; Garcés, Karin; Garc\?ía, Nestor; Sanz Miguel, Pablo J.; Fernández-Alvarez, Francisco J.; Pérez-Torrente, Jesús J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2378
• a: 12.2648 ± 0.0008 Å
• b: 9.2929 ± 0.0006 Å
• c: 26.5659 ± 0.0017 Å
• α: 90°
• β: 95.534 ± 0.001°
• γ: 90°
• Cell volume: 3013.8 ± 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: 0.1154
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No