Crystallography Open Database

Information card for entry 4503081

Preview

Coordinates	4503081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H80.8 Cd2 Cl0.24 N6 S8
Calculated formula	C100 H80.8 Cd2 Cl0.24 N6 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	11.7155 ± 0.0003 Å
b	16.5374 ± 0.0004 Å
c	42.09 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8154.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
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.	4503081.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503081.cif
41337	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503081 via cif-deposit CGI script.	4503081.cif