Information card for entry 7003416

Structure parameters

• Formula: C38 H33 Cu3 N27 O7
• Calculated formula: C38 H31 Cu3 N27 O7
• SMILES: [Cu](N(c1ncccn1)C=[N]([Cu]1234)c5nccc[n]5[Cu]5678)([n]9cccnc9N1C=[N]6c1nccc[n]71)([n]1cccnc1N2C=[N]3c1nccc[n]81)[n]1cccnc1N4C=[N]5c1ncccn1.N#CC.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Syntheses, structures and magnetism of linear tri- and tetra-copper chains containing anions of N,N′-bis(pyrimidine-2-yl)formamidine
• Authors of publication: Chan, Zhi-Kai; Lin, Chia-Her; Wang, Chih-Chieh; Chen, Jhy-Der; Wang, Ju-Chun; Liu, C. W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2183 - 2189
• a: 11.6294 ± 0.0004 Å
• b: 11.9689 ± 0.0004 Å
• c: 32.9002 ± 0.0011 Å
• α: 90°
• β: 97.883 ± 0.001°
• γ: 90°
• Cell volume: 4536.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No