Information card for entry 4316060

Structure parameters

• Formula: C12 H17 Cu N5 O
• Calculated formula: C12 H17 Cu N5 O
• SMILES: [Cu]12(Oc3ccccc3C(=[N]1CC[N]2(C)C)C)N=N#N
• Title of publication: A Unique Example of Structural and Magnetic Diversity in Four Interconvertible Copper(II)-Azide Complexes with the Same Schiff Base Ligand: A Monomer, a Dimer, a Chain, and a Layer
• Authors of publication: Subrata Naiya; Chaitali Biswas; Michael G. B. Drew; Carlos J. Gómez-García; Juan M. Clemente-Juan; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6616 - 6627
• a: 11.783 ± 0.004 Å
• b: 19.194 ± 0.005 Å
• c: 12.154 ± 0.003 Å
• α: 90°
• β: 94.96 ± 0.02°
• γ: 90°
• Cell volume: 2738.5 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.2663
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No