Information card for entry 4134832

Structure parameters

• Formula: C48 H86 Cr4 N2 Si4
• Calculated formula: C48 H86 Cr4 N2 Si4
• SMILES: [Cr]123456([Cr]789%10%11%12%13([Cr]%14%15%16%17%18%19%20([Cr]%21%22%23%247([H]%14)([H]%20)([NH]9%19)[c]7([c]%23([c]%24([c]%21([c]%227C)C)C)C)[Si](C)(C)C)(N18)[c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)[Si](C)(C)C)[c]1([Si](C)(C)C)[c]%10([c]%11([c]%12([c]%131C)C6)C)C)[c]1([Si](C)(C)C)[c]2([c]3([c]4([c]51C)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: 11.8059 ± 0.0004 Å
• b: 20.8085 ± 0.0008 Å
• c: 43.452 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10674.6 ± 0.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No