Crystallography Open Database

Information card for entry 7705817

Preview

Coordinates	7705817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H47 Dy N4 O8
Calculated formula	C49 H47 Dy N4 O8
SMILES	[Dy]123456(Oc7c(C=O)cc(cc7C[N]5(CC[N]4(Cc4[n]3cccc4)Cc3c(O2)c(C=O)cc(c3)C)Cc2[n]6cccc2)C)OC(=CC(=[O]1)c1ccc(OC)cc1)c1ccc(OC)cc1
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	31.8697 ± 0.0005 Å
b	10.4652 ± 0.0002 Å
c	32.215 ± 0.0005 Å
α	90°
β	115.13 ± 0.002°
γ	90°
Cell volume	9727.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7705817.cif
259408	2020-12-01	cif/ Adding structures of 7705816, 7705817, 7705818, 7705819 via cif-deposit CGI script.	7705817.cif