Crystallography Open Database

Information card for entry 4511741

Preview

Coordinates	4511741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H84 Li5 N7 O27
Calculated formula	C57 H63 Li5 N6 O25
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	16.3128 ± 0.0004 Å
b	16.4758 ± 0.0005 Å
c	29.1404 ± 0.0008 Å
α	90°
β	91.924 ± 0.001°
γ	90°
Cell volume	7827.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.123
Residual factor for significantly intense reflections	0.1004
Weighted residual factors for significantly intense reflections	0.3227
Weighted residual factors for all reflections included in the refinement	0.3444
Goodness-of-fit parameter for all reflections included in the refinement	1.365
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.	4511741.cif
122868	2014-09-06	cif/ Updating files of 4511737, 4511738, 4511739, 4511740, 4511741 Original log message: Adding full bibliography for 4511737--4511741.cif.	4511741.cif
121004	2014-08-01	cif/ Adding structures of 4511737, 4511738, 4511739, 4511740, 4511741 via cif-deposit CGI script.	4511741.cif