Information card for entry 7053865

Structure parameters

• Formula: C18 H20 Cl2 Cu N4 O12
• Calculated formula: C18 H20 Cl2 Cu N4 O12
• SMILES: c1cccc2[n]1[Cu]1([n]3c(CN4C(=[O]1)OCC4)cccc3)[O]=C1N(CCO1)C2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Structure and properties of metal complexes of a pyridine based oxazolidinone synthesized by atmospheric CO2 fixation
• Authors of publication: Sarkar, Amrita; Bhattacharyya, Sudipta; Dey, Suman Kr; Karmakar, Subhendu; Mukherjee, Arindam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 2
• Pages of publication: 817
• a: 9.0019 ± 0.0004 Å
• b: 8.0278 ± 0.0003 Å
• c: 16.0297 ± 0.0007 Å
• α: 90°
• β: 99.17 ± 0.002°
• γ: 90°
• Cell volume: 1143.59 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No