Crystallography Open Database

Information card for entry 4103729

Preview

Coordinates	4103729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H56 In4 K3 N26 O27.5
Calculated formula	C46 H56 In4 K3 N25.9867 O27.49
Title of publication	From Metal-Organic Squares to Porous Zeolite-like Supramolecular Assemblies
Authors of publication	Shuang Wang; Tingting Zhao; Guanghua Li; Lukasz Wojtas; Qisheng Huo; Mohamed Eddaoudi; Yunling Liu
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	18038 - 18041
a	29.319 ± 0.003 Å
b	29.319 ± 0.003 Å
c	29.319 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	25203 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4103729.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103729.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103729.cif
26772	2011-09-25	../uploads/cif-deposit/cod/cif Adding structures of 4103729 via cif-deposit CGI script.	4103729.cif