Crystallography Open Database

Information card for entry 4117936

Preview

Coordinates	4117936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H172 Cd4 N12 Ni4 O32
Calculated formula	C132 H162 Cd4 N12 Ni4 O32
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	14.43 ± 0.003 Å
b	40.91 ± 0.009 Å
c	30.645 ± 0.006 Å
α	90°
β	101.996 ± 0.003°
γ	90°
Cell volume	17696 ± 6 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	0.1838
Residual factor for significantly intense reflections	0.1072
Weighted residual factors for significantly intense reflections	0.2559
Weighted residual factors for all reflections included in the refinement	0.3104
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4117936.cif
75074	2013-03-06	cif/ Adding structures of 4117936 via cif-deposit CGI script.	4117936.cif