Crystallography Open Database

Information card for entry 2228129

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Structure parameters

Chemical name	(μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>')bis[bis(<i>N</i>,<i>N</i>- dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]
Formula	C22 H32 N6 S8 Zn2
Calculated formula	C22 H32 N6 S8 Zn2
SMILES	c1(cc[n]([Zn]23([S]=C(N(C)C)S3)[S]=C(N(C)C)S2)cc1)c1cc[n](cc1)[Zn]12([S]=C(N(C)C)S1)[S]=C(N(C)C)S2
Title of publication	(μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>')bis[bis(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]
Authors of publication	Zha, Mei-Qin; Li, Xing; Bing, Yue; Lu, Yue
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	m1465
a	8.049 ± 0.0008 Å
b	13.877 ± 0.0014 Å
c	14.8134 ± 0.0014 Å
α	90°
β	100.07 ± 0.001°
γ	90°
Cell volume	1629.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
181202 (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 2/22/81.	2228129.cif 2228129.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.	2228129.cif 2228129.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228129.cif 2228129.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.	2228129.cif 2228129.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228129.cif 2228129.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2228129.cif 2228129.hkl
5166	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2228129 via cif-deposit CGI script.	2228129.cif