Crystallography Open Database

Information card for entry 4114585

Preview

Coordinates	4114585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28.5 Cl1.5 Co N10 O6
Calculated formula	C21 H28.5 Cl1.5 Co0.333 N9.333 O6
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	15.285 ± 0.001 Å
b	15.2855 Å
c	39.656 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	8023.9 ± 0.7 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.032
Goodness-of-fit parameter for all reflections	1.951
Goodness-of-fit parameter for all reflections included in the refinement	1.95
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.	4114585.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114585.cif
67916	2012-10-09	cif/ Adding structures of 4114585 via cif-deposit CGI script.	4114585.cif