Crystallography Open Database

Information card for entry 2214227

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2214227.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	[N-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2-)- κ^2^S,S']bis(triphenylphosphine-κP)nickel(II)
Formula	C43 H33 Cl2 N Ni O2 P2 S3
Calculated formula	C43 H33 Cl2 N Ni O2 P2 S3
SMILES	[Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(S\C(=N/S(=O)(=O)c2c(Cl)ccc(Cl)c2)S1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	[<i>N</i>-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2{-})-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphine-κ<i>P</i>)nickel(II)
Authors of publication	Novais, Celice; Guilardi, Silvana; Machado Jr, Iterlandes; Oliveira, Marcelo R. L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1981 - m1982
a	18.4654 ± 0.0003 Å
b	15.2416 ± 0.0002 Å
c	28.8619 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8123 ± 0.2 Å³
Cell temperature	293 ± 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 significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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