Crystallography Open Database

Information card for entry 4117937

Preview

Coordinates	4117937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H176 Cd4 Co4 N12 O36
Calculated formula	C140 H157 Cd4 Co4 N12 O36
Title of publication	Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides
Authors of publication	Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8058 - 8061
a	14.2697 ± 0.0009 Å
b	40.363 ± 0.003 Å
c	30.931 ± 0.002 Å
α	90°
β	102.623 ± 0.005°
γ	90°
Cell volume	17385 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1459
Residual factor for significantly intense reflections	0.1294
Weighted residual factors for significantly intense reflections	0.3254
Weighted residual factors for all reflections included in the refinement	0.3375
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178950 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/79.	4117937.cif
75075	2013-03-06	cif/ Adding structures of 4117937 via cif-deposit CGI script.	4117937.cif