Crystallography Open Database

Information card for entry 2233253

Preview

Coordinates	2233253.cif
Structure factors	2233253.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato)- 1:2κ^3^<i>S</i>,<i>S</i>':<i>S</i>';2:1κ^3^<i>S</i>,<i>S</i>':<i>S</i>'- bis[(<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')cadmium]
Formula	C52 H48 Cd2 N4 O4 S8
Calculated formula	C52 H48 Cd2 N4 O4 S8
Title of publication	Bis(μ-<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato)-1:2κ^3^<i>S</i>,<i>S</i>':<i>S</i>';2:1κ^3^<i>S</i>,<i>S</i>':<i>S</i>'-bis[(<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium]
Authors of publication	Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Valarmathi, P.; Thirumaran, S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	1
Pages of publication	m12 - m13
a	10.7922 ± 0.0003 Å
b	14.7253 ± 0.0006 Å
c	16.9352 ± 0.0006 Å
α	90°
β	97.383 ± 0.003°
γ	90°
Cell volume	2669 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181254 (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 2/23/32.	2233253.cif 2233253.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.	2233253.cif 2233253.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2233253.cif 2233253.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.	2233253.cif 2233253.hkl
34292	2012-02-14	hkl/ Adding Fobs data for the recently deposited IUCr structures.	2233253.cif 2233253.hkl
32314	2012-02-08	../uploads/cif-deposit/cod/cif Adding structures of 2233253 via cif-deposit CGI script.	2233253.cif