Information card for entry 7701296

Structure parameters

• Formula: C20 H22 F N Si
• Calculated formula: C20 H22 F N Si
• Title of publication: Complementary bonding analysis of the N – Si interaction in pentacoordinated silicon compounds using quantum crystallography
• Authors of publication: Fugel, Malte; Ponomarenko, Maksym; Hesse, Maxie F.; Malaspina, Lorraine Andrade; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 7.5718 ± 0.0003 Å
• b: 17.2362 ± 0.0006 Å
• c: 13.093 ± 0.0005 Å
• α: 90°
• β: 95.976 ± 0.001°
• γ: 90°
• Cell volume: 1699.47 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for all reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0132
• RFsqd: 0.0266
• Goodness-of-fit parameter for all reflections: 2.7307
• Goodness-of-fit parameter for significantly intense reflections: 1.7307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No