Crystallography Open Database

Information card for entry 4509187

Preview

Coordinates	4509187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C284 H142 Cl4 N12 S2 Zn2
Calculated formula	C284 H142 Cl4 N12 S2 Zn2
Title of publication	Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds
Authors of publication	Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	2
Pages of publication	1170
a	20.177 ± 0.0015 Å
b	15.218 ± 0.001 Å
c	29.833 ± 0.002 Å
α	90°
β	103.466 ± 0.01°
γ	90°
Cell volume	8908.5 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.211
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179627 (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 4/50/91.	4509187.cif
97161	2014-01-29	cif/ Adding structures of 4509179, 4509180, 4509181, 4509182, 4509183, 4509184, 4509185, 4509186, 4509187 via cif-deposit CGI script.	4509187.cif