Information card for entry 4087994

Structure parameters

• Formula: C32 H56 B Ir O2 P2
• Calculated formula: C32 H56 B Ir O2 P2
• SMILES: [IrH]123(c4c(O[P]1(C(C)(C)C)C(C)(C)C)cccc4O[P]2(C(C)(C)C)C(C)(C)C)[H][BH]([H]3)c1c(c(cc(c1C)C)C)C
• 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: 8.4018 ± 0.0009 Å
• b: 12.8783 ± 0.0014 Å
• c: 16.9736 ± 0.0019 Å
• α: 73.067 ± 0.001°
• β: 80.836 ± 0.002°
• γ: 77.115 ± 0.002°
• Cell volume: 1703.9 ± 0.3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No