Crystallography Open Database

Information card for entry 4510095

Preview

Coordinates	4510095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Li4 N2 O13
Calculated formula	C21.9867 H6 Li4 N2 O13
Title of publication	New Lithium Ion Clusters for Construction of Porous MOFs
Authors of publication	Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	897
a	21.1288 ± 0.0004 Å
b	21.1288 ± 0.0004 Å
c	21.1288 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9432.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0999
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2352
Weighted residual factors for all reflections included in the refinement	0.2535
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
179647 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/00.	4510095.cif
106324	2014-03-15	cif/ Adding structures of 4510095 via cif-deposit CGI script.	4510095.cif