Crystallography Open Database

Information card for entry 7225100

Preview

Coordinates	7225100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H80 Gd2 N4 O14
Calculated formula	C104 H80 Gd2 N4 O14
SMILES	C1(=CC(c2ccccc2)=[O][Gd]234([N](=Cc5[n]2cccc5)CC[N]2=Cc5[n](cccc5)[Gd]5672(OC(=CC(c2ccccc2)=[O]5)c2ccccc2)([O]=C(C=C(O6)c2ccccc2)c2ccccc2)OC(=CC(=[O]7)c2ccccc2)c2ccccc2)(O1)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1)c1ccccc1.O.O
Title of publication	A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior
Authors of publication	Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	24
Pages of publication	4627
a	13.2572 ± 0.0008 Å
b	13.5997 ± 0.0007 Å
c	14.1795 ± 0.0007 Å
α	85.809 ± 0.004°
β	88.882 ± 0.004°
γ	63.111 ± 0.005°
Cell volume	2273.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
185221 (current)	2016-08-07	cif/ Updating files of 7225096, 7225097, 7225098, 7225099, 7225100 Original log message: Adding full bibliography for 7225096--7225100.cif.	7225100.cif
182578	2016-05-05	cif/ Adding structures of 7225096, 7225097, 7225098, 7225099, 7225100 via cif-deposit CGI script.	7225100.cif