Crystallography Open Database

Information card for entry 7045715

Preview

Coordinates	7045715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Ce2 N12 O40
Calculated formula	C42 H24 Ce2 N12 O40
Title of publication	Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.
Authors of publication	Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	13
Pages of publication	4722 - 4732
a	12.7786 ± 0.0018 Å
b	47.775 ± 0.007 Å
c	9.2651 ± 0.001 Å
α	90°
β	92.972 ± 0.005°
γ	90°
Cell volume	5648.7 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229746 (current)	2019-11-17	cif/ Updating files of 7045715, 7045716, 7045717, 7045718, 7045719, 7045720, 7045721, 7045722, 7045723, 7045724 Original log message: Adding full bibliography for 7045715--7045724.cif.	7045715.cif
206639	2018-02-24	cif/ Adding structures of 7045715, 7045716, 7045717, 7045718, 7045719, 7045720, 7045721, 7045722, 7045723, 7045724 via cif-deposit CGI script.	7045715.cif