Information card for entry 7121093

Structure parameters

• Formula: C21 H48 Bi N3 O2 Si2
• Calculated formula: C21 H48 Bi N3 O2 Si2
• Title of publication: Catalytic oxidative coupling promoted by bismuth TEMPOxide complexes.
• Authors of publication: Schwamm, R. J.; Lein, M.; Coles, M. P.; Fitchett, C. M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 916 - 919
• a: 11.8697 ± 0.0003 Å
• b: 17.1607 ± 0.0004 Å
• c: 13.7508 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2800.93 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No