Information card for entry 4310039

Structure parameters

• Formula: C36 H36 Cl2 Cu N6 O8
• Calculated formula: C36 H33 Cl2 Cu N6 O8
• Title of publication: Steric Protection of a Photosensitizer in a N,N-Bis[2-(2-pyridyl)ethyl]-2-phenylethylamine-copper(II) Bowl that Enhances Red Light-Induced DNA Cleavage Activity
• Authors of publication: Shanta Dhar; Munirathinam Nethaji; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8876 - 8883
• a: 9.5591 ± 0.0014 Å
• b: 27.757 ± 0.004 Å
• c: 14.372 ± 0.002 Å
• α: 90°
• β: 100.484 ± 0.002°
• γ: 90°
• Cell volume: 3749.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No