Information card for entry 4127497

Structure parameters

• Formula: C49 H82 Cr K N6 O6 P
• Calculated formula: C49 H82 Cr K N6 O6 P
• SMILES: [Cr]12345([P](c6c([c]71[c]2([c]3([c]4([c]57CC)CC)CC)CC)cccc6)(C1CCCCC1)C1CCCCC1)([N]#N)[N]#N.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]5CC[O]4CC9)CC[O]1CC8
• 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: 20.6373 ± 0.0003 Å
• b: 17.5541 ± 0.0002 Å
• c: 28.8861 ± 0.0003 Å
• α: 90°
• β: 92.318 ± 0.001°
• γ: 90°
• Cell volume: 10456 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No