Information card for entry 7012726

Structure parameters

• Formula: C14 H18 Cu N4 O6
• Calculated formula: C14 H18 Cu N4 O6
• SMILES: c1ccc[n]2[Cu]3([NH2]Cc12)[NH2]Cc1cccc[n]31.[O-]C(=O)O.C(=O)(O)[O-]
• Title of publication: Isolation and characterisation of a novel thermally stable octahedral bicarbonato complex of bis(2-picolylamine)copper(ii): identification of rare monodentate coordination
• Authors of publication: Roy Choudhury, Chirantan; Dey, Subrata Kumar; Mitra, Samiran; Gramlich, Volker
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1059
• a: 8.632 ± 0.007 Å
• b: 8.987 ± 0.007 Å
• c: 9.997 ± 0.011 Å
• α: 90°
• β: 99.39 ± 0.07°
• γ: 90°
• Cell volume: 765.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for all reflections: 0.71
• Goodness-of-fit parameter for significantly intense reflections: 0.715
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No