Information card for entry 4127495

Structure parameters

• Formula: C93 H102 Cr3 N8 P3
• Calculated formula: C93 H102 Cr3 N8 P3
• SMILES: [Cr]12345([P](c6c([c]71[c]5([c]4([c]3([c]27CC)CC)CC)CC)cccc6)(c1ccccc1)c1ccccc1)([N]#[N][Cr]12345([P](c6c([c]71[c]2([c]3([c]4([c]57CC)CC)CC)CC)cccc6)(c1ccccc1)c1ccccc1)[N]#N)[N]#[N][Cr]12345([P](c6c([c]75[c]1([c]2([c]3([c]47CC)CC)CC)CC)cccc6)(c1ccccc1)c1ccccc1)[N]#N
• 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: 17.3686 ± 0.001 Å
• b: 23.3588 ± 0.0014 Å
• c: 26.4874 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10746.2 ± 1.1 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No