Crystallography Open Database

Information card for entry 4105304

Preview

Coordinates	4105304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60 In3 N3 O33
Calculated formula	C54 In3 N3 O33
Title of publication	Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties
Authors of publication	Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16027 - 16029
a	20.4639 ± 0.0001 Å
b	20.4639 ± 0.0001 Å
c	20.4639 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	8569.69 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
178799 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53.	4105304.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105304.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105304.cif
30499	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105304 via cif-deposit CGI script.	4105304.cif