Information card for entry 1517647

Structure parameters

• Formula: C22 H32 Cu2 N6 O9
• Calculated formula: C22 H32 Cu2 N6 O9
• SMILES: [Cu]123[O]4[Cu]56[O]1c1c7cc(cc1C[NH]5CC[NH]6Cc1c4c(C[NH]2CC[NH]3C7)cc(c1)C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand
• Authors of publication: Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 85 - 96
• a: 13.753 ± 0.004 Å
• b: 14.752 ± 0.005 Å
• c: 13.844 ± 0.003 Å
• α: 90°
• β: 110.1 ± 0.005°
• γ: 90°
• Cell volume: 2637.7 ± 1.3 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: 0.0527
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No