Information card for entry 4127492

Structure parameters

• Formula: C31 H34 Cl Cr P
• Calculated formula: C31 H34 Cl Cr P
• SMILES: [Cr]12345(Cl)[P](c6c([c]71[c]2([c]3([c]4([c]57CC)CC)CC)CC)cccc6)(c1ccccc1)c1ccccc1
• Title of publication: Dinitrogen Functionalization Affording Chromium Hydrazido Complex.
• Authors of publication: Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 10
• Pages of publication: 4241 - 4247
• a: 9.138 ± 0.0002 Å
• b: 18.3287 ± 0.0004 Å
• c: 16.6855 ± 0.0004 Å
• α: 90°
• β: 99.23 ± 0.003°
• γ: 90°
• Cell volume: 2758.43 ± 0.11 ų
• Cell temperature: 180 ± 0.2 K
• Ambient diffraction temperature: 180 ± 0.2 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: 0.0288
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No