Crystallography Open Database

Information card for entry 4334621

Preview

Coordinates	4334621.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)- bis(1,2-dimethoxyethane-O,O')-di-Samarium(iii)
Formula	C50 H38 F18 O16 Sm2
Calculated formula	C50 H38 F18 O16 Sm2
Title of publication	Crystal Structure and Highly Luminescent Properties Studies of Bis-β-diketonate Lanthanide Complexes
Authors of publication	Jing Shi; Yanjun Hou; Wenyi Chu; Xiaohong Shi; Huiquan Gu; Bilin Wang; Zhizhong Sun
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5013 - 5022
a	15.6073 ± 0.0008 Å
b	12.9464 ± 0.0006 Å
c	29.3024 ± 0.0014 Å
α	90°
β	92.016 ± 0.001°
γ	90°
Cell volume	5917.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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
179449 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/46.	4334621.cif
100491	2014-02-06	cif/ Adding structures of 4334621 via cif-deposit CGI script.	4334621.cif