Information card for entry 2240782

Structure parameters

• Common name: bis(tetramethyldiphosphinedisulfide)copper(I) tetrafluoroborate
• Chemical name: Bis(1,1,2,2-tetramethyldiphosphane-1,2-dithione-κ^2^<i>S</i>,<i>S</i>')copper(I) tetrafluoridoborate
• Formula: C8 H24 B Cu F4 P4 S4
• Calculated formula: C8 H24 B Cu F4 P4 S4
• SMILES: [Cu]12([S]=P(P(=[S]1)(C)C)(C)C)[S]=P(P(=[S]2)(C)C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Crystal structure of bis(1,1,2,2-tetramethyldiphosphane-1,2-dithione-κ^2^<i>S</i>,<i>S</i>')copper(I) tetrafluoridoborate
• Authors of publication: Corfield, Peter W. R.; Seeler, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 716 - 719
• a: 12.388 ± 0.008 Å
• b: 14.903 ± 0.01 Å
• c: 12.132 ± 0.007 Å
• α: 90°
• β: 98.02 ± 0.02°
• γ: 90°
• Cell volume: 2218 ± 2 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: 0.0801
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes