Crystallography Open Database

Information card for entry 4348915

Preview

Coordinates	4348915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H43 Dy N4 O6
Calculated formula	C63 H43 Dy N4 O6
SMILES	[Dy]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)[n]1c2c3[n]4cccc3c3c(c2ccc1)nc1c(n3)cccc1
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	12.188 ± 0.005 Å
b	22.423 ± 0.005 Å
c	41.216 ± 0.005 Å
α	90°
β	100.394 ± 0.009°
γ	90°
Cell volume	11079 ± 5 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	0.1121
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.252
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71069 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.	4348915.cif