Information card for entry 7012839

Structure parameters

• Common name: cis-[Co(dtc)~2~(P(OMe)~3~)~2~]BF~4~
• Chemical name: cis-Bis(N,N-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
• SMILES: [Co]12([S]=C(S1)N(C)C)([S]=C(S2)N(C)C)([P](OC)(OC)OC)[P](OC)(OC)OC.[B](F)(F)(F)[F-]
• Title of publication: Syntheses, crystal structures and isomerization kinetics of a series of [Co(dtc)~2~{P(OMe)~3-n~Ph~n~}~2~]^+^ (n = 0–2) complexes (dtc^-^ = N,N-dimethyldithiocarbamate): role of σ-donicity, π-acidity, and cone angle of the P-ligands in the trans influence and trans effect
• 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 - 2292
• a: 7.323 ± 0.004 Å
• b: 13.349 ± 0.003 Å
• c: 26.733 ± 0.003 Å
• α: 90°
• β: 95.56 ± 0.02°
• γ: 90°
• Cell volume: 2601 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No