Information card for entry 4079750

Structure parameters

• Formula: C32 H35 Ir N3 O0.5
• Calculated formula: C32 H35 Ir N3 O0.5
• Title of publication: Catalytic Intramolecular Hydroamination with a Bifunctional Iridium Pyrazolato Complex: Substrate Scope and Mechanistic Elucidation
• Authors of publication: Kashiwame, Yohei; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8444
• a: 23.246 ± 0.011 Å
• b: 11.251 ± 0.005 Å
• c: 21.322 ± 0.009 Å
• α: 90°
• β: 99.203 ± 0.007°
• γ: 90°
• Cell volume: 5505 ± 4 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No