Crystallography Open Database

Information card for entry 7062162

Preview

Coordinates	7062162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H32 Dy F9 N2 O6
Calculated formula	C54 H32 Dy F9 N2 O6
SMILES	[Dy]1234(OC(=CC(=[O]1)c1ccc5ccccc5c1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)c1ccc2ccccc2c1)(OC(=CC(=[O]3)c1ccc2ccccc2c1)C(F)(F)F)[n]1cccc2c1c1[n]4cccc1cc2
Title of publication	Slow magnetic relaxation of a mononuclear dysprosium complex derived from 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione and 1,10-phenanthroline
Authors of publication	Liu, Shan-Shan; Guo, Qi-Ming; Liu, Bin; Jin, Teng-Hui; Zhang, Zi-Hao; Lin, Shijing; Meng, Yin-Shan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	5
Pages of publication	2324 - 2328
a	9.8832 ± 0.0002 Å
b	11.2677 ± 0.0003 Å
c	23.1419 ± 0.0005 Å
α	87.573 ± 0.002°
β	79.458 ± 0.002°
γ	65.072 ± 0.002°
Cell volume	2295.82 ± 0.1 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
281510 (current)	2023-03-04	cif/ Updating files of 7062162, 7062163 Original log message: Adding full bibliography for 7062162--7062163.cif.	7062162.cif
279850	2022-12-13	cif/ Adding structures of 7062162, 7062163 via cif-deposit CGI script.	7062162.cif