Crystallography Open Database

Information card for entry 7241406

Preview

Coordinates	7241406.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[La2(H2O)2(nmp)2(C6H2N2O4)3]
Formula	C28 H28 La2 N8 O16
Calculated formula	C28 H28 La2 N8 O16
Title of publication	Lanthanide contraction effect and white-emitting luminescence in a series of metal‒organic frameworks based on 2,5-pyrazinedicarboxylic acid
Authors of publication	Barsukova, Marina O.; Cherezova, Sofia V.; Sapianik, Aleksandr A.; Lundovskaya, Olga V.; Samsonenko, Denis G.; Fedin, Vladimir P.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	63
Pages of publication	38252 - 38259
a	6.1241 ± 0.0002 Å
b	12.8424 ± 0.0003 Å
c	20.6476 ± 0.0004 Å
α	90°
β	90.852 ± 0.002°
γ	90°
Cell volume	1623.72 ± 0.07 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
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
258448 (current)	2020-10-17	cif/ Adding structures of 7241406, 7241407 via cif-deposit CGI script.	7241406.cif