Crystallography Open Database

Information card for entry 4509183

Preview

Coordinates	4509183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109.88 H63.88 Cl0.25 Mn N6.88
Calculated formula	C109.875 H63.875 Cl0.25 Mn N6.875
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	26.17 ± 0.001 Å
b	17.901 ± 0.001 Å
c	15.026 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7039.2 ± 0.7 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	0.0464
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4509183.cif
97161	2014-01-29	cif/ Adding structures of 4509179, 4509180, 4509181, 4509182, 4509183, 4509184, 4509185, 4509186, 4509187 via cif-deposit CGI script.	4509183.cif