Information card for entry 7012840

Structure parameters

• Common name: cis-[Co(dtc)~2~{P(OMe)~2~Ph}~2~]PF~6~
• Chemical name: cis-Bis(dimethyldithiocarbamato)bis(dimethyl phenylphosphonito)cobalt(III) Hexafluorophosphate
• Formula: C22 H34 Co F6 N2 O4 P3 S4
• Calculated formula: C22 H34 Co F6 N2 O4 P3 S4
• SMILES: [Co]12([S]=C(S1)N(C)C)([S]=C(S2)N(C)C)([P](OC)(OC)c1ccccc1)[P](OC)(OC)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.732 ± 0.003 Å
• b: 19.827 ± 0.005 Å
• c: 14.553 ± 0.003 Å
• α: 90°
• β: 94.91 ± 0.02°
• γ: 90°
• Cell volume: 3372.8 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.3883
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No