Information card for entry 4514487

Structure parameters

• Formula: C20 H24 Cl Cu N4 O2 Se2
• Calculated formula: C20 H24 Cl Cu N4 O2 Se2
• SMILES: [Se]([Cu]([Se]=C1N(c2c(N1C)cccc2)CCO)Cl)=C1N(c2c(N1C)cccc2)CCO
• Title of publication: Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.
• Authors of publication: Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 4766 - 4776
• a: 9.369 ± 0.003 Å
• b: 10.229 ± 0.004 Å
• c: 12.772 ± 0.005 Å
• α: 91.352 ± 0.01°
• β: 98.477 ± 0.01°
• γ: 110.731 ± 0.009°
• Cell volume: 1128.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1414
• Residual factor for significantly intense reflections: 0.1227
• Weighted residual factors for significantly intense reflections: 0.3824
• Weighted residual factors for all reflections included in the refinement: 0.3953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No