Information card for entry 1547076

Structure parameters

• Formula: C28 H54 B Fe N O2 P2
• Calculated formula: C28 H54 B Fe N O2 P2
• Title of publication: Hydroboration of Alkynes Catalyzed by Pyrrolide-Based PNP Pincer-Iron Complexes.
• Authors of publication: Nakajima, Kazunari; Kato, Takeru; Nishibayashi, Yoshiaki
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 4323 - 4326
• a: 12.9849 ± 0.0003 Å
• b: 18.5848 ± 0.0006 Å
• c: 26.1432 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6308.9 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No