Information card for entry 4345644

Structure parameters

• Formula: C42 H54 Cu2 N8 O7
• Calculated formula: C42 H54 Cu2 N8 O7
• SMILES: [Cu]1234[O]([Cu]56([O]1c1ccccc1C(c1c([nH]c(CC)[n]61)C)c1c(C)[nH]c([n]51)CC)[O]=C(O2)C)c1ccccc1C(c1c([nH]c(CC)[n]31)C)c1c([nH]c([n]41)CC)C.[O-]C(=O)C.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: 12.4631 ± 0.0004 Å
• b: 30.4969 ± 0.0009 Å
• c: 12.6547 ± 0.0004 Å
• α: 90°
• β: 93.733 ± 0.002°
• γ: 90°
• Cell volume: 4799.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No