Information card for entry 7033250

Structure parameters

• Formula: C22 H30 Cl2 Cu2 N6 O14
• Calculated formula: C22 H30 Cl2 Cu2 N6 O14
• SMILES: C1(C)=[O][Cu]234([n]5c(C)n(c(c5)N(=O)=O)C[C@@H](O)CCl)[O]=C(C)O[Cu]4([n]4c(C)n(c(c4)N(=O)=O)C[C@H](O)CCl)(O1)([O]=C(O3)C)[O]=C(O2)C
• Title of publication: A study on the formation of the nitro radical anion by ornidazole and its significant decrease in a structurally characterized binuclear Cu(II)-complex: impact in biology.
• Authors of publication: Santra, Ramesh Chandra; Ganguly, Durba; Singh, Jyotsna; Mukhopadhyay, Kasturi; Das, Saurabh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1992 - 2000
• a: 8.0418 ± 0.0007 Å
• b: 7.8054 ± 0.0006 Å
• c: 26.761 ± 0.002 Å
• α: 90°
• β: 102.099 ± 0.004°
• γ: 90°
• Cell volume: 1642.5 ± 0.2 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: 0.0134
• Residual factor for significantly intense reflections: 0.0133
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No