Crystallography Open Database

Information card for entry 7229173

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Structure parameters

Formula	C56 H52 Cl10 Dy2 N8 O6
Calculated formula	C56 H52 Cl10 Dy2 N8 O6
SMILES	c12c([O]3[Dy]45678[N](CCN9CC[N]%10(C29)CC[N]2=Cc9c(O[Dy]%11%123%102[N](CCN2CC[N]6(CC[N]5=Cc3c(O8)ccc(c3)Cl)C2c2c([O]7%11)ccc(c2)Cl)=Cc2cc(ccc2O%12)Cl)ccc(c9)Cl)=Cc2cc(ccc2O4)Cl)ccc(c1)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand
Authors of publication	Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang
Journal of publication	CrystEngComm
Year of publication	2017
a	21.186 ± 0.009 Å
b	15.093 ± 0.009 Å
c	21.803 ± 0.012 Å
α	90°
β	116.915 ± 0.014°
γ	90°
Cell volume	6217 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7229173.cif
200913	2017-09-15	cif/ Adding structures of 7229172, 7229173 via cif-deposit CGI script.	7229173.cif