Information card for entry 4134833

Structure parameters

• Formula: C48 H86 Cr4 N2 Si4
• Calculated formula: C48 H86 Cr4 N2 Si4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Cr]162345C[c]23[c]4([c]5([c]7([c]2(C)[Cr]289%1063457N1[Cr]1345678([c]8([c]1([c]3([c]4([c]58C)C)C)C)[Si](C)(C)C)[NH]2[Cr]123496([H]%10)([H]7)[c]5([c]1([c]2([c]3([c]45C)C)C)C)[Si](C)(C)C)[Si](C)(C)C)C)C)C)C)C)[Si](C)(C)C
• Title of publication: Dinitrogen Activation and Hydrogenation by C₅Me₄SiMe₃-Ligated Di- and Trinuclear Chromium Hydride Complexes.
• Authors of publication: Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 28.9967 ± 0.0011 Å
• b: 11.1756 ± 0.0004 Å
• c: 32.7459 ± 0.0013 Å
• α: 90°
• β: 94.35 ± 0.001°
• γ: 90°
• Cell volume: 10580.9 ± 0.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0511
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No