Information card for entry 4316494

Structure parameters

• Formula: C21 H22 Cl2 N4 O2 Zn
• Calculated formula: C21 H22 Cl2 N4 O2 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(cc(cc3c3[n]2cccc3)OCCN2CCOCC2)c2[n]1cccc2
• 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: 9.7525 ± 0.0003 Å
• b: 10.3473 ± 0.0004 Å
• c: 11.485 ± 0.0004 Å
• α: 78.493 ± 0.003°
• β: 75.307 ± 0.003°
• γ: 89.428 ± 0.003°
• Cell volume: 1097.53 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No