Information card for entry 1508538

Structure parameters

• Chemical name: 3,3',5,5'-tetramethylbenzidine 7,7,8,8-tetracyanoquinodimethnae
• Formula: C28 H24 N6
• Calculated formula: C28 H24 N6
• Title of publication: Generation and Diffusion of Photocarriers in Molecular Donor‒Acceptor Systems: Dependence on Charge-Transfer Gap Energy
• Authors of publication: Tsutsumi, Jun’ya; Matsui, Hiroyuki; Yamada, Toshikazu; Kumai, Reiji; Hasegawa, Tatsuo
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2012
• Journal volume: 116
• Journal issue: 45
• Pages of publication: 23957
• a: 6.7481 ± 0.0012 Å
• b: 21.891 ± 0.003 Å
• c: 8.1279 ± 0.0011 Å
• α: 90°
• β: 100.229 ± 0.011°
• γ: 90°
• Cell volume: 1181.6 ± 0.3 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No