Information card for entry 2012484

Structure parameters

• Common name: [Co(dtc)~2~{P(OMe)~2~Ph}]~2~(PF~6~)~2~
• Chemical name: Bis[bis(dimethyldithiocarbamato)(dimethylphenylphosphonito)cobalt(III)] Bis(hexafluorophosphate)
• Formula: C28 H46 Co2 F12 N4 O4 P4 S8
• Calculated formula: C28 H46 Co2 F12 N4 O4 P4 S8
• SMILES: C1(N(C)C)=[S][Co]23([P](c4ccccc4)(OC)OC)([S]=C(N(C)C)[S]2[Co]24([P](c5ccccc5)(OC)OC)([S]3C(N(C)C)=[S]2)[S]=C(N(C)C)S4)S1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis(μ-<i>N,N</i>-dimethyldithiocarbamato-κ^3^<i>S,S</i>':<i>S</i>')bis[(dimethoxyphenylphosphane-κ<i>P</i>)(<i>N,N</i>-dimethyldithiocarbamato-κ^2^<i>S,S</i>')cobalt(III)] bis(hexafluorophosphate)
• Authors of publication: Suzuki, Takayoshi; Takagi, Hideo D.; Kashiwabara, Kazuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m95 - m97
• a: 26.454 ± 0.003 Å
• b: 14.499 ± 0.003 Å
• c: 14.517 ± 0.003 Å
• α: 90°
• β: 120.276 ± 0.01°
• γ: 90°
• Cell volume: 4808.6 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes