Information card for entry 7021179

Structure parameters

• Formula: C30 H36 Cl3 Cu2 N8 O13
• Calculated formula: C30 H36 Cl3 Cu2 N8 O13
• SMILES: c1cccc2[n]1[Cu]13[n]4c(C[NH]3CCC[NH]1C2)cccc4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.c1cccc2C[NH]3CCC[NH]4Cc5[n](cccc5)[Cu]34[n]12.[O-]Cl(=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: 13.6944 ± 0.0004 Å
• b: 26.3827 ± 0.0008 Å
• c: 11.2946 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4080.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.1303
• Weighted residual factors for significantly intense reflections: 0.3822
• Weighted residual factors for all reflections included in the refinement: 0.394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.664
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No