Crystallography Open Database

Information card for entry 4503087

Preview

Coordinates	4503087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H69 Cl N12 S8 Zn2
Calculated formula	C98 H69 Cl N12 S8 Zn2
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	10.3921 ± 0.0004 Å
b	16.9217 ± 0.0006 Å
c	22.3916 ± 0.0008 Å
α	84.147 ± 0.001°
β	76.65 ± 0.001°
γ	89.885 ± 0.001°
Cell volume	3810.3 ± 0.2 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4503087.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503087.cif
41343	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503087 via cif-deposit CGI script.	4503087.cif