Information card for entry 4514026

Structure parameters

• Formula: C45 H53 N O2 Si Sn
• Calculated formula: C45 H53 N O2 Si Sn
• SMILES: [Sn]1([O]=CO1)N([Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1
• Title of publication: Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes
• Authors of publication: Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 1853
• a: 9.99 ± 0.002 Å
• b: 11.36 ± 0.002 Å
• c: 18.89 ± 0.004 Å
• α: 86.59 ± 0.03°
• β: 85.63 ± 0.03°
• γ: 67.69 ± 0.03°
• Cell volume: 1976.4 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No