Information card for entry 7114947

Structure parameters

• Formula: C13 H19 Cl Cu N6 O4
• Calculated formula: C13 H19 Cl Cu N6 O4
• SMILES: [Cu]12([N](=Cc3[n]1cccc3)CC[N]12CCCCC1)(OCl(=O)(=O)=O)N=N#N
• Title of publication: First observation of a ferromagnetic interaction through an end-to-end azido bridging pathway in a 1D copper(ii) system
• Authors of publication: Maji, Tapas Kumar; Mukherjee, Partha Sarathi; Chaudhuri, Nirmalendu Ray; Mostafa, Golam; Mallah, Talal; Cano-Boquera, Joan
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1012
• a: 20.685 ± 0.004 Å
• b: 7.337 ± 0.002 Å
• c: 11.692 ± 0.002 Å
• α: 90°
• β: 95.73 ± 0.01°
• γ: 90°
• Cell volume: 1765.6 ± 0.7 ų
• Cell temperature: 296 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 significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No