Crystallography Open Database

Information card for entry 4111795

Preview

Coordinates	4111795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H105 Cd3 Cl12 N9 O21
Calculated formula	C100 H48 Cd3 Cl12 N7.5 O15.5
Title of publication	A Homochiral Porous Metal-Organic Framework for Highly Enantioselective Heterogeneous Asymmetric Catalysis
Authors of publication	Chuan-De Wu; Aiguo Hu; Lin Zhang; Wenbin Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	8940 - 8941
a	10.2343 ± 0.0005 Å
b	19.118 ± 0.001 Å
c	20.9287 ± 0.001 Å
α	67.553 ± 0.003°
β	86.753 ± 0.003°
γ	83.63 ± 0.003°
Cell volume	3760.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.222
Weighted residual factors for all reflections included in the refinement	0.2582
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178888 (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 4/11/17.	4111795.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111795.cif
63400	2012-07-27	cif/ Adding structures of 4111795 via cif-deposit CGI script.	4111795.cif