Crystallography Open Database

Information card for entry 7242332

Preview

Coordinates	7242332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 Dy N6 O5
Calculated formula	C33 H31 Dy N6 O5
SMILES	[Dy]1234567(Oc8ccccc8C[N]4(Cc4[n]3cccc4)Cc3[n]5c(ccc3)C[N]6(Cc3[n]7cccc3)Cc3ccccc3O1)ON(=[O]2)=O
Title of publication	Ligand field and anion-driven structures and magnetic properties of dysprosium complexes
Authors of publication	Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	15
Pages of publication	2825 - 2834
a	16.3957 ± 0.001 Å
b	9.7879 ± 0.0006 Å
c	20.6189 ± 0.0014 Å
α	90°
β	110.783 ± 0.002°
γ	90°
Cell volume	3093.6 ± 0.3 Å³
Cell temperature	304 ± 2 K
Ambient diffraction temperature	304 ± 2 K
Number of distinct elements	5
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	0.0185
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
265978 (current)	2021-06-05	cif/ Updating files of 7242331, 7242332, 7242333 Original log message: Adding full bibliography for 7242331--7242333.cif.	7242332.cif
262335	2021-03-02	cif/ Adding structures of 7242331, 7242332, 7242333 via cif-deposit CGI script.	7242332.cif