Information card for entry 7702328

Structure parameters

• Formula: C11 H10 Cu N3 S
• Calculated formula: C11 H10 Cu N3 S
• Title of publication: Thiocyanato complexes of the coinage metals: synthesis and crystal structures of the polymeric pyridine complexes [Ag xCuy(SCN)x + y(py)z]
• Authors of publication: Krautscheid, Harald; Emig, Norbert; Klaassen, Nicole; Seringer, Petra
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 18
• Pages of publication: 3071
• a: 5.85 ± 0.003 Å
• b: 14.076 ± 0.006 Å
• c: 14.792 ± 0.008 Å
• α: 90°
• β: 94.8 ± 0.04°
• γ: 90°
• Cell volume: 1213.8 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.0708
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No