Crystallography Open Database

Information card for entry 4503084

Preview

Coordinates	4503084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C358 H90 Cl4 Hg2 N6 S8
Calculated formula	C358 H90 Cl4 Hg2 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	16.9422 ± 0.0011 Å
b	20.1412 ± 0.0013 Å
c	29.786 ± 0.002 Å
α	90°
β	94.917 ± 0.001°
γ	90°
Cell volume	10126.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179561 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30.	4503084.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503084.cif
41340	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503084 via cif-deposit CGI script.	4503084.cif