Information card for entry 7107240

Structure parameters

• Formula: C26 H36 Cu N9 O6
• Calculated formula: C26 H36 Cu N9 O6
• SMILES: c12Cc3c([nH]c([n]3[Cu]34([n]2c(CC)[nH]c1C)([n]1c(CC)[nH]c(C)c1Cc1c([nH]c([n]31)CC)C)ON=[O]4)CC)C.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: 9.471 ± 0.0002 Å
• b: 9.4545 ± 0.0002 Å
• c: 18.3295 ± 0.0005 Å
• α: 90°
• β: 90.054 ± 0.001°
• γ: 90°
• Cell volume: 1641.29 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No