Crystallography Open Database

Information card for entry 2237778

Preview

Coordinates	2237778.cif
Structure factors	2237778.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N'</i>,<i>S</i>}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide-κ<i>S</i>}cadmium(II)
Formula	C24 H23 Cd I N8 S4
Calculated formula	C24 H23 Cd I N8 S4
SMILES	[Cd]12(I)(SC(=N[N]2=C(c2scc[n]12)C)Nc1ccccc1)[S]=C(N/N=C(c1sccn1)/C)Nc1ccccc1
Title of publication	Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>',<i>S</i>}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide-κ<i>S</i>}cadmium(II)
Authors of publication	Venkatraman, Ramaiyer; Samuel, Dasary S.; Arslan, Zikri; Hossain, Md. Alamgir; Fronczek, Frank R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	5
Pages of publication	m246 - m247
a	8.6685 ± 0.0004 Å
b	10.1323 ± 0.0005 Å
c	16.722 ± 0.0008 Å
α	76.607 ± 0.002°
β	79.481 ± 0.002°
γ	77.91 ± 0.002°
Cell volume	1383.15 ± 0.12 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0597
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

Version history

Revision	Date	Message	Files
181299 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/77.	2237778.cif 2237778.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2237778.cif 2237778.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.	2237778.cif 2237778.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2237778.cif 2237778.hkl
86442	2013-07-11	cif/ Adding structures of 2237778 via cif-deposit CGI script.	2237778.cif