Information card for entry 4129978

Structure parameters

• Formula: C80.5 H49 Cd2.5 N19.5 O23
• Calculated formula: C79.5 H49 Cd2.397 N18.8 O19.975
• Title of publication: Selective Formation of Conductive Network by Radical-Induced Oxidation.
• Authors of publication: Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 1776 - 1779
• a: 17.868 ± 0.0002 Å
• b: 15.1867 ± 0.0002 Å
• c: 33.7475 ± 0.0006 Å
• α: 90°
• β: 98.694 ± 0.001°
• γ: 90°
• Cell volume: 9052.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No