Crystallography Open Database

Information card for entry 7056814

Preview

Coordinates	7056814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H64 Co2 Gd2 N2 O20
Calculated formula	C66 H64 Co2 Gd2 N2 O20
SMILES	O1[Gd]2345([O]=C(c6ccccc6)O[Gd]67([O]=C(c8ccccc8)O4)([O]=C1c1ccccc1)(OC(=[O]3)c1ccccc1)[O]=C(O[Co]13([N](C)(CC[O]71)CC[OH]3)[O]=C(O6)c1ccccc1)c1ccccc1)[O]=C(O[Co]13([N](C)(CC[O]51)CC[OH]3)[O]=C(O2)c1ccccc1)c1ccccc1
Title of publication	Synthesis, structures and magnetic properties of linear {CoII2LnIII2} coordination clusters
Authors of publication	Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; He, Zhangzhen
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	2
Pages of publication	1284
a	12.454 ± 0.005 Å
b	23.648 ± 0.009 Å
c	12.216 ± 0.005 Å
α	90°
β	113.724 ± 0.007°
γ	90°
Cell volume	3294 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0537
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
230299 (current)	2019-11-17	cif/ Updating files of 7056812, 7056813, 7056814 Original log message: Adding full bibliography for 7056812--7056814.cif.	7056814.cif
204238	2017-12-14	cif/ Adding structures of 7056812, 7056813, 7056814 via cif-deposit CGI script.	7056814.cif