Crystallography Open Database

Information card for entry 1564573

Preview

Coordinates	1564573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 N10 O17 Pr
Calculated formula	C34 H37 N10 O17 Pr
SMILES	[Pr]123([O]=C(O1)c1cc4[nH]c(nc4cc1)c1ccc([n+]4c[nH]cc4)cc1)([O]=C(O2)c1cc2nc([nH]c2cc1)c1ccc(n2cncc2)cc1)([O]=N(O3)=O)([OH2])([OH2])[OH2].O.O=N(=O)[O-].O.O.O
Title of publication	Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties
Authors of publication	Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	508
Pages of publication	119593
a	16.0211 ± 0.0009 Å
b	11.9141 ± 0.0006 Å
c	20.3289 ± 0.0009 Å
α	90°
β	101.471 ± 0.002°
γ	90°
Cell volume	3802.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0557
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
269016 (current)	2021-09-07	cif/ Adding structures of 1564573 via cif-deposit CGI script.	1564573.cif