Information card for entry 4087997

Structure parameters

• Formula: C26 H36 B Cl2 Ir
• Calculated formula: C26 H36 B Cl2 Ir
• SMILES: [Ir]12345(Cl)([H][B](Cl)([H]5)c5c(c(cc(c5C)C)C)C)[c]5([c]1([c]2([c]4([c]35C)C)C)C)C.c1ccccc1
• Title of publication: Aryldihydroborane Coordination to Iridium and Osmium Hydrido Complexes
• Authors of publication: Arnold, Nicole; Mozo, Silvia; Paul, Ursula; Radius, Udo; Braunschweig, Holger
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5709
• a: 9.829 ± 0.002 Å
• b: 15.79 ± 0.003 Å
• c: 17.032 ± 0.004 Å
• α: 90°
• β: 104.52 ± 0.005°
• γ: 90°
• Cell volume: 2558.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0236
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No