Crystallography Open Database

Information card for entry 7062779

Preview

Coordinates	7062779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H56 Dy4 F4 N22 O20
Calculated formula	C57 H56 Dy4 F4 N22 O20
Title of publication	Anion-dependent dysprosium(iii) cluster single-molecule magnets
Authors of publication	Liu, Cai-Ming; Hao, Xiang
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	40
Pages of publication	18849 - 18855
a	12.746 ± 0.0001 Å
b	13.9888 ± 0.0001 Å
c	20.3905 ± 0.0002 Å
α	75.674 ± 0.001°
β	80.412 ± 0.001°
γ	86.085 ± 0.001°
Cell volume	3471.99 ± 0.05 Å³
Cell temperature	170.07 ± 0.11 K
Ambient diffraction temperature	170.07 ± 0.11 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	0.0218
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287395 (current)	2023-11-06	cif/ Updating files of 7062779, 7062780 Original log message: Adding full bibliography for 7062779--7062780.cif.	7062779.cif
286665	2023-10-05	cif/ Adding structures of 7062779, 7062780 via cif-deposit CGI script.	7062779.cif