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Information card for entry 7012841
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Coordinates | 7012841.cif |
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Original paper (by DOI) | HTML |
Common name | cis-[Co(dtc)~2~(P(OMe)Ph~2~)~2~]PF~6~ |
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Chemical name | cis-Bis(N,N-dimethyldithiocarbamato)bis(methyl diphenylphosphinite)cobalt(III) Hexafluorophosphate |
Formula | C32 H38 Co F6 N2 O2 P3 S4 |
Calculated formula | C32 H38 Co F6 N2 O2 P3 S4 |
SMILES | [Co]12([S]=C(S1)N(C)C)([S]=C(S2)N(C)C)([P](OC)(c1ccccc1)c1ccccc1)[P](OC)(c1ccccc1)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 | 18.893 ± 0.006 Å |
b | 25.288 ± 0.003 Å |
c | 16.688 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7973 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.2147 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1216 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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