Information card for entry 4089187

Structure parameters

• Formula: C33 H41 Co N O P3
• Calculated formula: C33 H41 Co N O P3
• SMILES: [Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4[CH]2=[N]1C3c1ccc(OC)cc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation
• Authors of publication: Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 975
• a: 8.3914 ± 0.0001 Å
• b: 18.3937 ± 0.0005 Å
• c: 20.2728 ± 0.0004 Å
• α: 90°
• β: 92.068 ± 0.001°
• γ: 90°
• Cell volume: 3127.05 ± 0.11 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No