Crystallography Open Database

Information card for entry 4114580

Preview

Coordinates	4114580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cl3 Co N10 O13
Calculated formula	C18 H24 Cl3 Co N10 O13
SMILES	[Co]12345[N](CCN(CC[N]2=Cc2[n]3c[nH]c2)CC[N]4=Cc2[n]5c[nH]c2)=Cc2[n]1c[nH]c2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups
Authors of publication	Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	629 - 640
a	36.389 ± 0.002 Å
b	13.313 ± 0.002 Å
c	12.704 ± 0.002 Å
α	90°
β	104.98 ± 0.01°
γ	90°
Cell volume	5945.3 ± 1.4 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.045
Goodness-of-fit parameter for all reflections	1.592
Goodness-of-fit parameter for all reflections included in the refinement	1.59
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4114580.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114580.cif
67911	2012-10-09	cif/ Adding structures of 4114580 via cif-deposit CGI script.	4114580.cif