Information card for entry 7012844

Structure parameters

• Common name: trans-[Co(dtc)~2~(PPh~2~(OMe))~2~]BF~4~.0.5MeOH
• Chemical name: trans-Bis(N,N-dimethyldithiocarbamato)bis(methyl diphenylphosphinito) cobalt(III) tetrafluoroborate hemimethanol solvate
• Formula: C65 H80 B2 Co2 F8 N4 O5 P4 S8
• Calculated formula: C65 H80 B2 Co2 F8 N4 O5 P4 S8
• 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: 9.6508 ± 0.0005 Å
• b: 10.9697 ± 0.0008 Å
• c: 37.114 ± 0.003 Å
• α: 88.261 ± 0.008°
• β: 84.228 ± 0.007°
• γ: 85.066 ± 0.008°
• Cell volume: 3893.8 ± 0.5 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: 0.1202
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No