Information card for entry 7051182

Structure parameters

• Formula: C11 H17 Cl Cu N6 O4
• Calculated formula: C11 H17 Cl Cu N6 O4
• SMILES: [Cu]12([n]3ccccc3C=[N]1CCC[N]2(C)C)(N=N#N)OCl(=O)(=O)=O
• Title of publication: Synthesis, crystal structure, and magnetic properties of two new Cu(II) complexes with end-to-end azido bridging ligands
• Authors of publication: Sarathi Mukherjee, Partha; Dalai, Sudipta; Mostafa, Golam; Lu, Tian-Huey; Rentschler, Eva; Ray Chaudhuri, Nirmalendu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 1203
• a: 9.0852 ± 0.001 Å
• b: 16.2398 ± 0.0018 Å
• c: 10.8913 ± 0.0012 Å
• α: 90°
• β: 96.881 ± 0.002°
• γ: 90°
• Cell volume: 1595.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No