Information card for entry 7705377

Structure parameters

• Formula: C31 H23 B F2 N4 O4 S2
• Calculated formula: C31 H23 B F2 N4 O4 S2
• Title of publication: Boron difluoride formazanates with thiophene and 3,4-ethylenedioxythiophene capping and their electrochemical polymerization.
• Authors of publication: Kumar, Chandan; Agrawal, Abhijeet R.; Ghosh, Nani Gopal; Karmakar, Himadri S.; Das, Sarasija; Kumar, Neha Rani; Banewar, Vishal W.; Zade, Sanjio S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 38
• Pages of publication: 13202 - 13206
• a: 11.409 ± 0.0003 Å
• b: 20.0988 ± 0.0005 Å
• c: 12.0473 ± 0.0002 Å
• α: 90°
• β: 92.607 ± 0.002°
• γ: 90°
• Cell volume: 2759.67 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No