Information card for entry 7021181

Structure parameters

• Formula: C21 H27 Cl2 Cu N7 O8
• Calculated formula: C21 H27 Cl2 Cu N7 O8
• SMILES: [Cu]1234[n]5ccccc5C[NH]1CC[N]2(Cc1[n]3cccc1)Cc1[n]4ccn1C.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.
• Authors of publication: Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5731 - 5739
• a: 8.9766 ± 0.0002 Å
• b: 9.9809 ± 0.0002 Å
• c: 16.3225 ± 0.0004 Å
• α: 91.17 ± 0.001°
• β: 94.844 ± 0.001°
• γ: 110.289 ± 0.001°
• Cell volume: 1364.84 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No