Crystallography Open Database

Information card for entry 4511740

Preview

Coordinates	4511740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H101 Li11 O58
Calculated formula	C66 H48 Li11 O48.02
Title of publication	Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study
Authors of publication	Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4355
a	18.6108 ± 0.0007 Å
b	18.6108 ± 0.0007 Å
c	19.3734 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	5811.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.2617
Weighted residual factors for all reflections included in the refinement	0.2724
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
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
179664 (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 4/51/17.	4511740.cif
122868	2014-09-06	cif/ Updating files of 4511737, 4511738, 4511739, 4511740, 4511741 Original log message: Adding full bibliography for 4511737--4511741.cif.	4511740.cif
121004	2014-08-01	cif/ Adding structures of 4511737, 4511738, 4511739, 4511740, 4511741 via cif-deposit CGI script.	4511740.cif