Crystallography Open Database

Information card for entry 7049040

Preview

Coordinates	7049040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Dy2 N4 O24
Calculated formula	C22 H26 Dy2 N4 O24
Title of publication	Structural and magnetic investigations of a binuclear coordination compound of dysprosium(iii) dinitrobenzoate.
Authors of publication	Sran, Balkaran Singh; Gonzalez, Jessica Flores; Montigaud, Vincent; Le Guennic, Boris; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	12
Pages of publication	3922 - 3929
a	13.8285 ± 0.0004 Å
b	8.9016 ± 0.0003 Å
c	27.5841 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3395.49 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
224577 (current)	2019-11-08	cif/ Updating files of 7049040 Original log message: Adding full bibliography for 7049040.cif.	7049040.cif
213683	2019-02-17	cif/ Adding structures of 7049040 via cif-deposit CGI script.	7049040.cif