Crystallography Open Database

Information card for entry 2227642

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Structure parameters

Chemical name	<i>catena</i>-Poly[cadmium-bis(μ-<i>N</i>,<i>N</i>- dimethyldithiocarbamato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)]
Formula	C6 H12 Cd N2 S4
Calculated formula	C6 H12 Cd N2 S4
SMILES	[Cd]123[S]=C(N(C)C)[S]2[Cd]24([S]=C(N(C)C)[S]2)([S]=C(N(C)C)[S]4)[S]3C(=[S]1)N(C)C
Title of publication	<i>catena</i>-Poly[cadmium-bis(μ-<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)]
Authors of publication	Bing, Yue; Li, Xing; Zha, Meiqin; Lu, Yue
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	m1500
a	10.055 ± 0.002 Å
b	14.744 ± 0.003 Å
c	7.9518 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1178.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181197 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76.	2227642.cif 2227642.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227642.cif 2227642.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227642.cif 2227642.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2227642.cif 2227642.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227642.cif 2227642.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227642.cif 2227642.hkl
4679	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2227642 via cif-deposit CGI script.	2227642.cif