Information card for entry 7701298

Structure parameters

• Formula: C41 H48 B2 Cl2 F10 N2 Si2
• Calculated formula: C41 H48 B2 Cl2 F10 N2 Si2
• 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: 13.131 ± 0.003 Å
• b: 7.798 ± 0.0016 Å
• c: 21.291 ± 0.004 Å
• α: 90°
• β: 99.58 ± 0.03°
• γ: 90°
• Cell volume: 2149.7 ± 0.8 ų
• Cell temperature: 20 ± 10 K
• Ambient diffraction temperature: 20 ± 10 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4015 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No