Crystallography Open Database

Information card for entry 4348913

Preview

Coordinates	4348913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H41 Dy N2 O6
Calculated formula	C57 H41 Dy N2 O6
SMILES	[Dy]1234([n]5cccc6ccc7ccc[n]1c7c56)(OC(=CC(c1ccccc1)=[O]2)c1ccccc1)(OC(=CC(c1ccccc1)=[O]3)c1ccccc1)[O]=C(c1ccccc1)C=C(c1ccccc1)O4
Title of publication	Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes
Authors of publication	Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	9
Pages of publication	827
a	30.1199 ± 0.0009 Å
b	19.6717 ± 0.0007 Å
c	19.7248 ± 0.0005 Å
α	90°
β	97.169 ± 0.003°
γ	90°
Cell volume	11595.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
233487 (current)	2019-11-23	cif/ Adding structures of 4348912, 4348913, 4348914, 4348915 via cif-deposit CGI script.	4348913.cif