Information card for entry 4511791

Structure parameters

• Formula: C14 H6 Cl2 Cu N5 O2 S
• Calculated formula: C14 H6 Cl2 Cu N5 O2 S
• Title of publication: New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains
• Authors of publication: Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 4878
• a: 7.9661 ± 0.0003 Å
• b: 8.3365 ± 0.0001 Å
• c: 14.932 ± 0.001 Å
• α: 76.996 ± 0.012°
• β: 89.811 ± 0.014°
• γ: 63.693 ± 0.009°
• Cell volume: 860.83 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No