Information card for entry 7004917

Structure parameters

• Common name: bis(1,2-bis(methylthiomethyl)benzene)copper(i) tetrafluoroborate
• Chemical name: bis(1,2-bis(methylthiomethyl)benzene)copper(I) tetrafluoroborate
• Formula: C20 H28 B Cu F4 S4
• Calculated formula: C20 H28 B Cu F4 S4
• SMILES: [B](F)(F)(F)[F-].C[S]1Cc2ccccc2C[S](C)[Cu]21[S](C)Cc1ccccc1C[S]2C
• Title of publication: Transition metal complexes with wide-angle dithio-, diseleno- and ditelluroethers: properties and structural systematics.
• Authors of publication: Levason, William; Nirwan, Manisha; Ratnani, Raju; Reid, Gillian; Tsoureas, Nikolaos; Webster, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 439 - 448
• a: 10.111 ± 0.003 Å
• b: 7.746 ± 0.002 Å
• c: 15.129 ± 0.004 Å
• α: 90°
• β: 102.987 ± 0.012°
• γ: 90°
• Cell volume: 1154.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No