Information card for entry 7114072

Structure parameters

• Common name: CuSCN(dpt)
• Chemical name: Copper(I) thiocyanate 2,4-bis(4-pyridyl)-1,3,5-triazine
• Formula: C14 H9 Cu N6 S
• Calculated formula: C14 H9 Cu N6 S
• Title of publication: Structural isomerism in CuSCN coordination polymers
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 1640
• a: 20.649 ± 0.002 Å
• b: 8.9701 ± 0.0009 Å
• c: 7.4121 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1372.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No