Crystallography Open Database

Information card for entry 7219051

7219050 << 7219051 >> 7219052

Preview

Coordinates	7219051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.29 H3.81 N0.13 O0.97 Pr0.06
Calculated formula	C3.29032 H3.80645 N0.129032 O0.967742 Pr0.0645161
Title of publication	Lanthanide Complexes with 3, 4, 5-Triethoxybenzoic acid and 1,10-phenanthroline: Synthesis, Crystal structures, Thermal decomposition mechanism and Phase transformation kinetics
Authors of publication	Zhang, Jian-Jun; Qi, Xiao-Xia; Ren, Ning; Xu, Su-Ling; Zong, Guang-Cai; Gao, Jie; geng, lina; Wang, Shu-Ping; Shi, Shikao
Journal of publication	RSC Adv.
Year of publication	2014
a	12.9555 ± 0.0012 Å
b	14.4344 ± 0.0013 Å
c	15.077 ± 0.002 Å
α	84.255 ± 0.009°
β	73.642 ± 0.01°
γ	89.269 ± 0.007°
Cell volume	2691.4 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2628
Residual factor for significantly intense reflections	0.1423
Weighted residual factors for significantly intense reflections	0.3553
Weighted residual factors for all reflections included in the refinement	0.4404
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219051.cif
128522	2014-12-11	cif/ Adding structures of 7219051, 7219052, 7219053 via cif-deposit CGI script.	7219051.cif