Information card for entry 4345818

Structure parameters

• Formula: C44 H55 Cu2 N13 O10
• Calculated formula: C44 H55 Cu2 N13 O10
• SMILES: [Cu]123ON(N=[O]1)c1ccc(O)c(C4c5[n]([Cu]6([O]=NN(O6)c6ccc(O)c(C(c7[n]2c([nH]c7C)CC)c2[n]3c([nH]c2C)CC)c6)[n]2c4c([nH]c2CC)C)c([nH]c5C)CC)c1.O=C([O-])C.[O-]C(=O)C.CC#N
• Title of publication: Nitric Oxide Reactivity of a Cu(II) Complex of an Imidazole-Based Ligand: Aromatic C-Nitrosation Followed by the Formation of N-Nitrosohydroxylaminato Complex.
• Authors of publication: Deka, Hemanta; Ghosh, Somnath; Gogoi, Kuldeep; Saha, Soumen; Mondal, Biplab
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5034 - 5040
• a: 17.8022 ± 0.0014 Å
• b: 15.3356 ± 0.0009 Å
• c: 21.883 ± 0.003 Å
• α: 90°
• β: 121.384 ± 0.007°
• γ: 90°
• Cell volume: 5100.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1591
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No