Crystallography Open Database

Information card for entry 7712950

Preview

Coordinates	7712950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Dy N5 O14 Zn
Calculated formula	C30 H28 Dy N5 O14 Zn
SMILES	[Dy]123456([O]7[Zn]89([O]1c1c(C=[N]8[C@H]([C@@H]([N]9=Cc%10c7c([O]5C)ccc%10)c5ccccc5)c5ccccc5)cccc1[O]2C)[OH2])(ON(=O)=[O]3)([O]=N(=O)O4)[O]=N(=O)O6
Title of publication	Circularly Polarized Luminescence and Magneto-Optic Effect from Chiral Dy(III)-Single Molecule Magnet
Authors of publication	Huang, Hong; Sun, Rong; Wu, Xiao-Fan; Liu, Youchao; Zhan, Jun-Zheng; Wang, Bingwu; Gao, Song
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.0327 ± 0.0005 Å
b	17.1436 ± 0.0007 Å
c	22.4164 ± 0.0017 Å
α	90°
β	97.007 ± 0.005°
γ	90°
Cell volume	3445.3 ± 0.4 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
283005 (current)	2023-05-05	cif/ Adding structures of 7712949, 7712950 via cif-deposit CGI script.	7712950.cif