Crystallography Open Database

Information card for entry 4510094

Preview

Coordinates	4510094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H34 Li2 N0 O12
Calculated formula	C27 H17 Li O6
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	28.0967 ± 0.0008 Å
b	28.0967 ± 0.0008 Å
c	22.9666 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	15701.4 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.1971
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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.	4510094.cif
106322	2014-03-15	cif/ Adding structures of 4510094 via cif-deposit CGI script.	4510094.cif