Crystallography Open Database

Information card for entry 7229802

Preview

Coordinates	7229802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H56 Cl4 Dy2 N4 O9
Calculated formula	C72 H56 Cl4 Dy2 N4 O9
SMILES	[Dy]12345([O]6[Dy]789(Oc%10ccccc%10C=[N]9c9c([N]8=Cc8c(O7)cccc8)cccc9)([O]2c2ccccc2C=[N]5c2ccccc2[N]4=Cc2ccccc26)[OH2])([O]=C(c2ccccc2)C=C(O3)c2ccccc2)OC(=CC(=[O]1)c1ccccc1)c1ccccc1.ClCCl.ClCCl
Title of publication	A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process
Authors of publication	Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	6
Pages of publication	777
a	14.5365 ± 0.0011 Å
b	15.8905 ± 0.0011 Å
c	17.8411 ± 0.001 Å
α	89.709 ± 0.005°
β	66.703 ± 0.006°
γ	63.25 ± 0.007°
Cell volume	3304.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0935
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
229009 (current)	2019-11-17	cif/ Updating files of 7229799, 7229800, 7229801, 7229802 Original log message: Adding full bibliography for 7229799--7229802.cif.	7229802.cif
204536	2017-12-27	cif/ Adding structures of 7229799, 7229800, 7229801, 7229802 via cif-deposit CGI script.	7229802.cif