Crystallography Open Database

Information card for entry 7061209

Preview

Coordinates	7061209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H60.5 Ce3 K5 N6 O43.5
Calculated formula	C31 H53.5 Ce3 K5 N6 O40
Title of publication	Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane
Authors of publication	Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	8
Pages of publication	3707 - 3715
a	18.3813 ± 0.0007 Å
b	15.2765 ± 0.0006 Å
c	23.6607 ± 0.0009 Å
α	90°
β	104.641 ± 0.004°
γ	90°
Cell volume	6428.2 ± 0.4 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	6
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	0.0831
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
273385 (current)	2022-03-05	cif/ Updating files of 7061206, 7061207, 7061208, 7061209, 7061210 Original log message: Adding full bibliography for 7061206--7061210.cif.	7061209.cif
272147	2022-01-20	cif/ Adding structures of 7061206, 7061207, 7061208, 7061209, 7061210 via cif-deposit CGI script.	7061209.cif