Crystallography Open Database

Information card for entry 4509185

Preview

Coordinates	4509185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108.3 H60.3 Cl1.4 N6.3 Zn
Calculated formula	C108.3 H60.3 Cl1.4 N6.3 Zn
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	25.707 ± 0.0011 Å
b	17.4702 ± 0.0008 Å
c	15.1678 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6812 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4509185.cif
97161	2014-01-29	cif/ Adding structures of 4509179, 4509180, 4509181, 4509182, 4509183, 4509184, 4509185, 4509186, 4509187 via cif-deposit CGI script.	4509185.cif