Information card for entry 4127496

Structure parameters

• Formula: C62 H92 Cr2 N6 P2
• Calculated formula: C62 H92 Cr2 N6 P2
• SMILES: [Cr]12345([P](c6c([c]71[c]2([c]3([c]4([c]57CC)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
• 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: 15.2595 ± 0.0004 Å
• b: 16.1681 ± 0.0004 Å
• c: 26.5072 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6539.8 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No