Information card for entry 1564840

Structure parameters

• Formula: C36.5 H47 B Ir N P2
• Calculated formula: C36.5 H47 B Ir N P2
• Title of publication: Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit
• Authors of publication: Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.8373 ± 0.0004 Å
• b: 17.7095 ± 0.0006 Å
• c: 18.0512 ± 0.0006 Å
• α: 117.239 ± 0.002°
• β: 90.452 ± 0.002°
• γ: 92.091 ± 0.002°
• Cell volume: 3361 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0248
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No