Information card for entry 4341425

Structure parameters

• Formula: C20 H32 Cl2 Cu2 N14 O8
• Calculated formula: C20 H32 Cl2 Cu2 N14 O8
• SMILES: c1c[nH]c(CC)[n]1[Cu]1([N](=N#N)[Cu]([N]1=N#N)([n]1cc[nH]c1CC)[n]1cc[nH]c1CC)[n]1cc[nH]c1CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Structural and Magnetic Diversity Based on Different Imidazolate Linkers in Cu(II)-Azido Coordination Compounds
• Authors of publication: Chakraborty, Anindita; Lingampalli, Srinivasa Rao; Kumari, Aman; Ribas, Joan; Ribas-Arino, Jordi; Maji, Tapas Kumar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141031143936008
• a: 7.8665 ± 0.0003 Å
• b: 14.8088 ± 0.0005 Å
• c: 13.9124 ± 0.0005 Å
• α: 90°
• β: 106.292 ± 0.002°
• γ: 90°
• Cell volume: 1555.62 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1436
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No