Information card for entry 7714083

Structure parameters

• Chemical name: BSPD4751
• Formula: C14 H13 Co I2 N2
• Calculated formula: C14 H13 Co I2 N2
• Title of publication: Hydrogenation and Dehydrogenation of N-Heterocycles Under Cp*Co(III)-Catalysis
• Authors of publication: Dahiya, Pardeep; Garg, Nidhi; Poli, Rinaldo; Sundararaju, Basker
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.6531 ± 0.0004 Å
• b: 14.3045 ± 0.0006 Å
• c: 11.2562 ± 0.0005 Å
• α: 90°
• β: 91.439 ± 0.001°
• γ: 90°
• Cell volume: 1553.8 ± 0.11 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No