Crystallography Open Database

Information card for entry 2012484

2012483 << 2012484 >> 2012485

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Coordinates	2012484.cif
Structure factors	2012484.hkl
Original IUCr paper	HTML

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 Å³
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 F_obs	Yes

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