Crystallography Open Database

Information card for entry 7229676

Preview

Coordinates	7229676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H128 Dy4 N16 O22
Calculated formula	C150 H128 Dy4 N16 O22
SMILES	N(=C\c1ccc(OC)cc1)/c1ccc2[O]3[Dy]4567([n]8c2c1ccc8)([O]=C(c1ccccc1)C=C(O5)C)[O]1c2ccc(/N=C/c5ccc(cc5)OC)c5c2[n](ccc5)[Dy]2581([n]1c9c([O]42)ccc(/N=C/c2ccc(OC)cc2)c9ccc1)([O]1c2ccc(/N=C/c4ccc(OC)cc4)c4c2[n](ccc4)[Dy]2491([O]1c%10ccc(/N=C/c%11ccc(cc%11)OC)c%11c%10[n](ccc%11)[Dy]%10%1131([n]1c3c([O]2%10)ccc(/N=C/c2ccc(OC)cc2)c3ccc1)([O]=C(c1ccccc1)C=C(O%11)C)[OH]69)(OC(=CC(c1ccccc1)=[O]4)C)[OH]78)[O]=C(c1ccccc1)C=C(O5)C.N#CC.N#CC.N#CC.N#CC
Title of publication	A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species
Authors of publication	Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min
Journal of publication	RSC Advances
Year of publication	2017
Journal volume	7
Journal issue	87
Pages of publication	55523
a	17.423 ± 0.003 Å
b	13.94 ± 0.002 Å
c	30.573 ± 0.006 Å
α	90°
β	103.736 ± 0.004°
γ	90°
Cell volume	7213 ± 2 Å³
Cell temperature	386 ± 2 K
Ambient diffraction temperature	386.3 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	0.1318
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2182
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
204071 (current)	2017-12-08	cif/ Adding structures of 7229672, 7229673, 7229674, 7229675, 7229676, 7229677, 7229678, 7229679, 7229680, 7229681 via cif-deposit CGI script.	7229676.cif