Information card for entry 7114073

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: 5.696 ± 0.0004 Å
• b: 8.4957 ± 0.0006 Å
• c: 14.178 ± 0.001 Å
• α: 83.643 ± 0.001°
• β: 82.941 ± 0.001°
• γ: 84.974 ± 0.001°
• Cell volume: 674.8 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No