Information card for entry 4312019

Structure parameters

• Formula: C113 H82 Cl9 Cu2 D3 N8
• Calculated formula: C113 H85 Cl9 Cu2 N8
• Title of publication: Alkyl- and Aryl-Substituted Corroles. 5. Synthesis, Physicochemical Properties, and X-ray Structural Characterization of Copper Biscorroles and Porphyrin-Corrole Dyads
• Authors of publication: Roger Guilard; Claude P. Gros; Jean-Michel Barbe; Enrique Espinosa; François Jérôme; Alain Tabard; Jean-Marc Latour; Jianguo Shao; Zhongping Ou; Karl M. Kadish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7441 - 7455
• a: 10.255 ± 0.0002 Å
• b: 16.389 ± 0.0003 Å
• c: 29.791 ± 0.0008 Å
• α: 74.792 ± 0.0014°
• β: 81.681 ± 0.0012°
• γ: 72.504 ± 0.0015°
• Cell volume: 4596.29 ± 0.18 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No