Information card for entry 2005294

Structure parameters

• Chemical name: Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)copper(I)tetrafluoroborate
• Formula: C24 H28 B Cu F4 N4 S4
• Calculated formula: C24 H28 B Cu F4 N4 S4
• SMILES: [Cu]([S]=c1n(cccc1)C)([S]=c1n(cccc1)C)([S]=c1n(cccc1)C)[S]=c1n(cccc1)C.[B](F)(F)(F)[F-]
• Title of publication: Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate
• Authors of publication: Giusti, G.; Geier, G.; Currao, A.; Nesper, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1914 - 1917
• a: 13.183 ± 0.006 Å
• b: 7.833 ± 0.002 Å
• c: 27.8 ± 0.01 Å
• α: 90°
• β: 90.56 ± 0.04°
• γ: 90°
• Cell volume: 2870.6 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1541
• Weighted residual factors for significantly intense reflections: 0.1326
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No