Crystallography Open Database

Information card for entry 7711406

Preview

Coordinates	7711406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 Er N7 O14 Zn
Calculated formula	C25 H32 Er N7 O14 Zn
SMILES	C[O]1c2cccc3c2[O]2[Er]4561([O]1c7c(C=[N]8CC(C[N](=C3)[Zn]218ON(=O)=O)(C)C)cccc7[O]4C)([OH2])(ON(=[O]5)=O)ON(=[O]6)=O.C(#N)C.C(#N)C
Title of publication	Single molecule magnet behavior and luminescence of {Ln<sub>4</sub>} and {LnZn} complexes.
Authors of publication	Peng, Guo; Yang, Qi; Chen, Yue; Dong, Xiang-Tao; Zhang, Zaichao; Ren, Xiao-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	33
Pages of publication	12484 - 12493
a	9.1607 ± 0.0004 Å
b	13.0748 ± 0.0007 Å
c	14.5902 ± 0.0007 Å
α	73.561 ± 0.002°
β	88.392 ± 0.001°
γ	84.147 ± 0.002°
Cell volume	1667.36 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0523
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
278360 (current)	2022-10-05	cif/ Adding structures of 7711404, 7711405, 7711406, 7711407, 7711408, 7711409 via cif-deposit CGI script.	7711406.cif