Crystallography Open Database

Information card for entry 7714433

Preview

Coordinates	7714433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H89 N3 O13 Yb2
Calculated formula	C108 H89 N3 O13 Yb2
SMILES	c1c[n]cc2c3cc4c(c[n]3[Yb]356([n]12)(OC(=CC(c1ccccc1)=[O]3)c1ccccc1)(OC(=CC(c1ccccc1)=[O]5)c1ccccc1)[O]=C(c1ccccc1)C=C(c1ccccc1)O6)[C@H]1C[C@@H](C4)C1(C)C.c1ccccc1C1=[O][Yb]23(OC(=C1)c1ccccc1)([O]=C(c1ccccc1)C=C(c1ccccc1)O3)([O]=C(c1ccccc1)C=C(c1ccccc1)O2)[OH]CC
Title of publication	Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses
Authors of publication	Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.3498 ± 0.0007 Å
b	21.0293 ± 0.0011 Å
c	21.4472 ± 0.0014 Å
α	90°
β	98.962 ± 0.006°
γ	90°
Cell volume	4611 ± 0.5 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	0.0816
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
287496 (current)	2023-11-10	cif/ Adding structures of 7714430, 7714431, 7714432, 7714433 via cif-deposit CGI script.	7714433.cif