Information card for entry 4087996

Structure parameters

• Formula: C34 H60 B Ir P2
• Calculated formula: C34 H60 B Ir P2
• SMILES: [IrH]123([P](Cc4c3c(ccc4)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[H][BH](c1c(c(cc(c1C)C)C)C)[H]2
• 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: 8.4786 ± 0.0006 Å
• b: 20.5168 ± 0.0015 Å
• c: 19.9238 ± 0.0014 Å
• α: 90°
• β: 100.425 ± 0.002°
• γ: 90°
• Cell volume: 3408.6 ± 0.4 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: 0.0225
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No