Information card for entry 7107239

Structure parameters

• Formula: C26 H36 Cl2 Cu N8 O9
• Calculated formula: C26 H36 Cl2 Cu N8 O9
• SMILES: [Cu]12([n]3c([nH]c(C)c3Cc3[n]1c([nH]c3C)CC)CC)[n]1c(Cc3[n]2c([nH]c3C)CC)c([nH]c1CC)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: First example of Cu(I)-(e2-O,O)nitrite complex derived from Cu(II)-pnitrosyl
• Authors of publication: Apurba Kalita; Pankaj Kumar; Ramesh C. Deka; Biplab Mondal
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1251
• a: 19.3685 ± 0.0012 Å
• b: 9.343 ± 0.0006 Å
• c: 19.1564 ± 0.0012 Å
• α: 90°
• β: 102.081 ± 0.004°
• γ: 90°
• Cell volume: 3389.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2115
• Residual factor for significantly intense reflections: 0.1405
• Weighted residual factors for significantly intense reflections: 0.399
• Weighted residual factors for all reflections included in the refinement: 0.4091
• Goodness-of-fit parameter for all reflections included in the refinement: 2.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No