Information card for entry 4315440

Structure parameters

• Formula: C29 H24 Cl2 Cu N4 O4
• Calculated formula: C29 H24 Cl2 Cu N4 O4
• Title of publication: Unfolding of the [Cu2(1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane)2]2+ Helicate. Coupling of the Chlorocarbon Dehalogenation to the Unfolding Process
• Authors of publication: L. Lemus; J. Guerrero; J. Costamagna; G. Estiu; G. Ferraudi; A. Graham Lappin; A. Oliver; B. C. Noll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4023 - 4035
• a: 12.5674 ± 0.0005 Å
• b: 29.9069 ± 0.0012 Å
• c: 7.3749 ± 0.0003 Å
• α: 90°
• β: 96.215 ± 0.003°
• γ: 90°
• Cell volume: 2755.58 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No