Information card for entry 7713115

Structure parameters

• Common name: Ge-bridged diazulenylmethyl cation
• Formula: C23 H19 F6 Ge P
• Calculated formula: C23 H19 F6 Ge P
• SMILES: [Ge]1(=C2C=C3C(=CC=CC=C3)C2=Cc2c1cc1c2ccccc1)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Germanium- and Tin-Bridged Diazulenylmethyl Cations: Effects of the Group 14 Element on the Structure and Properties of the π-Extended Cation
• Authors of publication: Murai, Masahito; Ito, Mako; Takahashi, Satoshi; Yamaguchi, Shigehiro
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 29.1631 ± 0.0006 Å
• b: 11.2974 ± 0.0002 Å
• c: 13.8266 ± 0.0003 Å
• α: 90°
• β: 114.072 ± 0.002°
• γ: 90°
• Cell volume: 4159.24 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.4129 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No