Information card for entry 7044498

Structure parameters

• Formula: C10 H16 Cu2 N16 O2
• Calculated formula: C10 H16 Cu2 N16 O2
• SMILES: c1cccc([n]1[Cu]1([N](=N#N)[Cu]([n]2ccccc2N)([N]1=N#N)(N=N#N)[OH2])(N=N#N)[OH2])N
• Title of publication: Ligand Directed Structural Diversity and Magnetism in Copper(II)-Azido Assemblies with Isomeric Aminopyridines: Synthesis, Structure, Magnetism and Theoretical studies
• Authors of publication: Pandey, Priyanka; Kharediya, Bhagwan; El Rez, Bahjat; Sutter, Jean-Pascal; govindaraju, bhargavi; M V, Rajasekharan; Sunkari, Sailaja S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.1606 ± 0.0019 Å
• b: 7.799 ± 0.003 Å
• c: 9.722 ± 0.003 Å
• α: 96.29 ± 0.03°
• β: 92.89 ± 0.02°
• γ: 113.31 ± 0.03°
• Cell volume: 493 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No