Information card for entry 4345819

Structure parameters

• Formula: C38 H52 Cu N10 O8
• Calculated formula: C38 H52 Cu N10 O8
• SMILES: O.O.[Cu]1234([n]5c(CC)[nH]c(C)c5C(c5c([nH]c([n]15)CC)C)c1c(O3)ccc(N=O)c1)[n]1c(CC)[nH]c(C)c1C(c1c([nH]c([n]21)CC)C)c1c(O4)ccc(N=O)c1.O.O
• 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: 8.4863 ± 0.0008 Å
• b: 10.9805 ± 0.001 Å
• c: 12.8436 ± 0.0012 Å
• α: 65.122 ± 0.009°
• β: 76.964 ± 0.008°
• γ: 78.346 ± 0.007°
• Cell volume: 1049.98 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No