Information card for entry 7012842

Structure parameters

• Common name: trans-[Co(dtc)~2~{P(OMe)~3~}~2~]BF~4~
• Chemical name: trans-Bis(dimethyldithiocarbamato)bis(trimethylphosphite)cobalt(III) Tetrafluoroborate
• Formula: C12 H30 B Co F4 N2 O6 P2 S4
• Calculated formula: C12 H30 B Co F4 N2 O6 P2 S4
• Title of publication: Syntheses, crystal structures and isomerization kinetics of a series of [Co(dtc)2{P(OMe)3�?�nPhn}2]+ (n = 0?2) complexes (dtc? = N,N-dimethyldithiocarbamate): role of ?-donicity, ?-acidity, and cone angle of the P-ligands in the trans influence and trans effectElectronic supplementary information (ESI) available: bond lengths and angles for all of the trans- and cis-complexes are summarized in Table S1?S6. The structures of the trans-isomers with different orientations and conformations of the OMe and Ph substituents on the P atoms are shown in Figs. S1?S3. See http://www.rsc.org/suppdata/dt/b3/b301712e/
• Authors of publication: Iwatsuki, Satoshi; Kashiwamura, Shinsaku; Kashiwabara, Kazuo; Suzuki, Takayoshi; Takagi, Hideo D.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2280
• a: 11.17 ± 0.002 Å
• b: 12.212 ± 0.002 Å
• c: 12.319 ± 0.002 Å
• α: 109.669 ± 0.016°
• β: 109.066 ± 0.014°
• γ: 107.363 ± 0.016°
• Cell volume: 1328.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1599
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No