Crystallography Open Database

Information card for entry 4301810

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Structure parameters

Formula	C66 H51 F12 N2 O8 Sm
Calculated formula	C66 H51 F12 N2 O8 Sm
Title of publication	Visible and Near-Infrared Emission by Samarium(III)-Containing Ionic Liquid Mixtures
Authors of publication	Kyra Lunstroot; Peter Nockemann; Kristof Van Hecke; Luc Van Meervelt; Christiane Görller-Walrand; Koen Binnemans; Kris Driesen
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3018 - 3026
a	16.3645 ± 0.0011 Å
b	17.1989 ± 0.0014 Å
c	23.534 ± 0.0015 Å
α	90°
β	117.03 ± 0.004°
γ	90°
Cell volume	5900.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.141
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4301810.cif
179056	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/18.	4301810.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301810.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301810.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301810.cif