Crystallography Open Database

Information card for entry 7705816

Preview

Coordinates	7705816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H55 Dy N4 O10
Calculated formula	C53 H55 Dy N4 O10
SMILES	[Dy]123456(Oc7c(cc(C)cc7C[N]3(Cc3[n]6cccc3)CC[N]4(Cc3[n]5cccc3)Cc3c(O1)c(cc(c3)C)C=O)C=O)OC(=CC(=[O]2)c1ccc(OC)cc1)c1ccc(OC)cc1.O1CCOCC1
Title of publication	Solvent responses and substituent effects upon magnetic properties of mononuclear Dy<sup>III</sup> compounds.
Authors of publication	Zhang, Sheng; Shen, Nan; Zhang, Jiangwei; Xu, Fang; Zhang, Jin; Tang, Jiamin; Hu, Dengwei; Yin, Bing; Chen, Sanping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	2
Pages of publication	624 - 637
a	16.7403 ± 0.0002 Å
b	10.2716 ± 0.0002 Å
c	28.7185 ± 0.0004 Å
α	90°
β	95.079 ± 0.001°
γ	90°
Cell volume	4918.75 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0544
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261676 (current)	2021-02-05	cif/ Updating files of 7705816, 7705817, 7705818, 7705819 Original log message: Adding full bibliography for 7705816--7705819.cif.	7705816.cif
259408	2020-12-01	cif/ Adding structures of 7705816, 7705817, 7705818, 7705819 via cif-deposit CGI script.	7705816.cif