Information card for entry 4306312

Structure parameters

• Formula: C12 H15 Cu N3 O3
• Calculated formula: C12 H15 Cu N3 O3
• SMILES: [Cu]12(OC(=CC(=[N]1CC[NH2]2)C)c1ccccc1)ON=O
• Title of publication: Rare Example of μ-Nitrito-1κ2O,O':2κOCoordinating Mode in Copper(II) Nitrite Complexes with Monoanionic Tridentate Schiff Base Ligands: Structure, Magnetic, and Electrochemical Properties
• Authors of publication: Biswarup Sarkar; Sanjit Konar; Carlos J. Gómez-García; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11611 - 11619
• a: 7.232 ± 0.003 Å
• b: 13.3 ± 0.006 Å
• c: 26.511 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2550 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No