Crystallography Open Database

Information card for entry 4503082

Preview

Coordinates	4503082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H72 Fe2 N10 S8
Calculated formula	C98 H72 Fe2 N10 S8
Title of publication	Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity
Authors of publication	Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1161
a	10.349 ± 0.0004 Å
b	16.9698 ± 0.0007 Å
c	20.8387 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3659.7 ± 0.3 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	5
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.365
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503082.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503082.cif
41338	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503082 via cif-deposit CGI script.	4503082.cif