Information card for entry 4518769

Structure parameters

• Formula: C28 H52 Ca N4 Si
• Calculated formula: C28 H52 Ca N4 Si
• SMILES: [Ca]123([N](=C(C)C=C(N1CC[N]2(C)CC[N]3(C)C)C)c1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C
• Title of publication: Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH
• Authors of publication: Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 6348 - 6356
• a: 14.0817 ± 0.0004 Å
• b: 20.8984 ± 0.0006 Å
• c: 21.3489 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6282.7 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.99 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No