Information card for entry 4129977

Structure parameters

• Formula: C54.25 H34 Cd2 N13 O15
• Calculated formula: C54 H34 Cd2 N12.861 O14.722
• 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: 8.6935 ± 0.0001 Å
• b: 25.5171 ± 0.0005 Å
• c: 32.5555 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7221.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No