Crystallography Open Database

Information card for entry 7249528

Preview

Coordinates	7249528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H50 Eu N3 O6
Calculated formula	C61 H50 Eu N3 O6
Title of publication	Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties
Authors of publication	Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	47
Pages of publication	6757 - 6764
a	9.5427 ± 0.0002 Å
b	20.9229 ± 0.0005 Å
c	12.6458 ± 0.0004 Å
α	90°
β	93.541 ± 0.003°
γ	90°
Cell volume	2520.05 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
296483 (current)	2024-12-06	cif/ Updating files of 7249528, 7249529, 7249530, 7249531 Original log message: Adding full bibliography for 7249528--7249531.cif.	7249528.cif
295737	2024-11-04	cif/ Adding structures of 7249528, 7249529, 7249530, 7249531 via cif-deposit CGI script.	7249528.cif