Crystallography Open Database

Information card for entry 7052846

Preview

Coordinates	7052846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Ni1.5 O8.5 S8
Calculated formula	C24 H40 Ni1.5 O8.5 S8
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	13.4074 ± 0.0004 Å
b	14.0031 ± 0.0004 Å
c	19.1875 ± 0.0006 Å
α	90°
β	104.593 ± 0.001°
γ	90°
Cell volume	3486.15 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0637
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052846.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052846.cif
37627	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052844, 7052845, 7052846, 7052847 via cif-deposit CGI script.	7052846.cif