Crystallography Open Database

Information card for entry 1564153

Preview

Coordinates	1564153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H92 Co2 Gd4 N10 O34
Calculated formula	C90 H92 Co2 Gd4 N10 O34
SMILES	c12c3ccccc3ccc2[O]2[Co]3456[N](=C1)c1c(cccc1)C[O]14[Gd]4789%10([O]5c5c(c%11c(cc5)cccc%11)C=[N]3c3c(cccc3)C[O]64[Gd]34521([OH]8[Gd]126([OH]8[Gd]%11%12%13([O]%14c%15c(c%16c(cc%15)cccc%16)C=[N]%15c%16c(cccc%16)C[O]18[Co]18%14%15[N](=Cc%14c([O]21)ccc1ccccc1%14)c1c(cccc1)C[O]68%11)([O]=C(O9)C)([O]7C(=[O]%13)C)(ON(=O)=O)[O]=CN(C)C)([O]=C(O3)C)([O]4C(=[O]5)C)ON(=[O]%12)=O)(ON(=O)=O)[O]=CN(C)C)ON(=[O]%10)=O.C(C)O.C(C)O
Title of publication	Structures and magnetic properties of two hexanuclear [Co2Ln4]complexes
Authors of publication	Wang, Yingying; Yuan, Zhuangdong; Ren, Hong; Xu, Weiyu; Xu, Jiali; Zhang, Huanzhen; Sha, Jingquan; Zhang, Haifeng
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	511
Pages of publication	119786
a	15.199 ± 0.003 Å
b	15.165 ± 0.003 Å
c	20.787 ± 0.004 Å
α	90°
β	91.18 ± 0.003°
γ	90°
Cell volume	4790.2 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
267547 (current)	2021-07-15	cif/ Adding structures of 1564152, 1564153 via cif-deposit CGI script.	1564153.cif