Crystallography Open Database

Information card for entry 2019036

2019035 << 2019036 >> 2019037

Preview

Coordinates	2019036.cif
Structure factors	2019036.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate
Formula	C30 H38 Cd N6 O8 S4
Calculated formula	C30 H38 Cd N6 O8 S4
SMILES	c1cc(cc2[n]1[Cd]13(OS(=O)(=O)SSS(=O)(=O)O3)([n]3ccc(cc3c3cc(cc[n]13)C)C)[n]1c2cc(cc1)C)C.N(C)(C)C=O.N(C)(C)C=O
Title of publication	Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue
Authors of publication	Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	7
Pages of publication	745 - 749
a	20.7076 ± 0.0007 Å
b	10.7885 ± 0.0003 Å
c	17.5044 ± 0.0005 Å
α	90°
β	108.187 ± 0.003°
γ	90°
Cell volume	3715.2 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.0494
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1
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
180859 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90.	2019036.cif 2019036.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019036.cif 2019036.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2019036.cif 2019036.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2019036.cif 2019036.hkl
87403	2013-08-27	cif/ Adding structures of 2019036, 2019037 via cif-deposit CGI script.	2019036.cif