Information card for entry 4316495

Structure parameters

• Formula: C21 H24 Cl2 Cu N4 O3
• Calculated formula: C21 H24 Cl2 Cu N4 O3
• SMILES: [Cu]12(Cl)(Cl)[n]3c(cc(cc3c3[n]2cccc3)OCCN2CCOCC2)c2[n]1cccc2.O
• Title of publication: Two Metals Are Better than One: Investigations on the Interactions between Dinuclear Metal Complexes and Quadruplex DNA
• Authors of publication: Kogularamanan Suntharalingam; Andrew J. P. White; Ramon Vilar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8371 - 8380
• a: 16.01719 ± 0.00019 Å
• b: 14.02884 ± 0.00014 Å
• c: 9.97472 ± 0.00012 Å
• α: 90°
• β: 103.055 ± 0.0012°
• γ: 90°
• Cell volume: 2183.41 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No