Information card for entry 4319590

Structure parameters

• Formula: C13 H13 Cl Cu N8 O4
• Calculated formula: C13 H13 Cl Cu N8 O4
• SMILES: [Cu]12([n]3c(cccc3Cn3[n]2ccc3)Cn2[n]1ccc2)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: 7.7155 ± 0.0006 Å
• b: 13.459 ± 0.002 Å
• c: 16.671 ± 0.003 Å
• α: 90°
• β: 100.797 ± 0.01°
• γ: 90°
• Cell volume: 1700.5 ± 0.4 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: 0.0663
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.1064
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No