Information card for entry 4319589

Structure parameters

• Formula: C38 H48 Cl2 Cu2 N18 O8
• Calculated formula: C38 H48 Cl2 Cu2 N18 O8
• SMILES: c12cccc3Cn4[n](c(cc4C)C)[Cu]([n]13)([n]1n(C2)c(C)cc1C)N=N#N.Cl(=O)(=O)(=O)[O-].N#CC
• 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: 8.393 ± 0.002 Å
• b: 12.2 ± 0.004 Å
• c: 12.235 ± 0.003 Å
• α: 77.29 ± 0.02°
• β: 78.5 ± 0.02°
• γ: 79.06 ± 0.02°
• Cell volume: 1183.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1516
• Weighted residual factors for significantly intense reflections: 0.1449
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No