Information card for entry 7217837

Structure parameters

• Formula: C26 H50 Br2 Cl4 Cu2 N6 O9
• Calculated formula: C26 H40 Br2 Cl4 Cu2 N6 O9
• SMILES: c1(ccc2c(c1)C=[N]1CC[N]3(CC[NH2+]CC3)[Cu]1(O2)(Cl)[Cl][Cu]12([N](=Cc3c(ccc(c3)Br)O2)CC[N]21CC[NH2+]CC2)Cl)Br.O.O.O.O.O.O.O.[Cl-]
• Title of publication: Magneto-structural correlation, antioxidant, DNA interaction and growth inhibition activities of new chloro-bridged phenolate complexes
• Authors of publication: Rahiman, Kalilur; Gurumoorthy, Perumal; Mahendiran, Dharmasivam; Parbhu, Durai; Arulvasu, Chinnasamy
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 13.8391 ± 0.0004 Å
• b: 14.3968 ± 0.0004 Å
• c: 20.2234 ± 0.0007 Å
• α: 90°
• β: 98.674 ± 0.001°
• γ: 90°
• Cell volume: 3983.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No