Crystallography Open Database

Information card for entry 7052845

Preview

Coordinates	7052845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Na Ni O8 S8
Calculated formula	C24 H40 Na Ni O8 S8
SMILES	[Ni]12(SC3=C(S1)SCCOCCOCCOCCOCCS3)SC1=C(S2)SCC[O]2CC[O]3CC[O](CCOCCS1)[Na]1234[O]5CC[O]1CC[O]4CCSC(=C(S1)SCCOCC5)S[Ni]12SC1=C(S2)SCC[O]2CC[O]3CC[O](CCOCCS1)[Na]23
Title of publication	Dithiolene complexes as metallo-ligands: a crown-ether approach
Authors of publication	Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	3
Pages of publication	638
a	23.6588 ± 0.0014 Å
b	10.192 ± 0.0006 Å
c	17.5265 ± 0.0012 Å
α	90°
β	127.742 ± 0.002°
γ	90°
Cell volume	3342 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0829
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180082 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052845.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052845.cif
37627	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052844, 7052845, 7052846, 7052847 via cif-deposit CGI script.	7052845.cif