Information card for entry 4319588

Structure parameters

• Formula: C34 H42 Cl2 Cu2 N16 O8
• Calculated formula: C34 H42 Cl2 Cu2 N16 O8
• SMILES: [Cu]12([n]3c(cccc3Cn3[n]2c(cc3C)C)Cn2[n]1c(cc2C)C)N=N#N.Cl(=O)(=O)(=O)[O-]
• Title of publication: Copper(II) Azide Complexes of Aliphatic and Aromatic Amine Based Tridentate Ligands: Novel Structure, Spectroscopy, and Magnetic Properties
• Authors of publication: P. Manikandan; R. Muthukumaran; K. R. Justin Thomas; B. Varghese; G. V. R. Chandramouli; P. T. Manoharan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2378 - 2389
• a: 10.02 ± 0.003 Å
• b: 16.538 ± 0.008 Å
• c: 12.758 ± 0.005 Å
• α: 90°
• β: 98.68 ± 0.03°
• γ: 90°
• Cell volume: 2089.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections: 0.1859
• Weighted residual factors for significantly intense reflections: 0.1595
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No