Crystallography Open Database

Information card for entry 7052847

Preview

Coordinates	7052847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Ni O8 S8
Calculated formula	C24 H40 Ni O8 S8
SMILES	C1COCCOCCOCCOCCSC2=C(S[Ni]3(SC4=C(S3)SCCOCCOCCOCCOCCS4)S2)S1
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	9.1918 ± 0.0004 Å
b	9.5486 ± 0.0004 Å
c	10.6697 ± 0.0004 Å
α	67.459 ± 0.001°
β	74.151 ± 0.002°
γ	84.463 ± 0.002°
Cell volume	832.01 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7052847.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052847.cif
37627	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052844, 7052845, 7052846, 7052847 via cif-deposit CGI script.	7052847.cif