Crystallography Open Database

Information card for entry 7032541

Preview

Coordinates	7032541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H38 Dy N4 O7
Calculated formula	C39 H38 Dy N4 O7
SMILES	[Dy]1234([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)([O]=C(C)C=C(O3)C)[n]1c2c3[n]4cccc3c3nc4cc5c(cc4nc3c2ccc1)cccc5.CCO
Title of publication	[Dy(acac)3(dppn)]·C2H5OH: construction of a single-ion magnet based on the square-antiprism dysprosium(iii) ion.
Authors of publication	Chen, Gong-Jun; Zhou, Yang; Jin, Guo-Xia; Dong, Yu-Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	44
Pages of publication	16659 - 16665
a	10.4228 ± 0.0012 Å
b	12.4496 ± 0.0014 Å
c	14.2131 ± 0.001 Å
α	103.621 ± 0.008°
β	93.468 ± 0.008°
γ	96.219 ± 0.009°
Cell volume	1774.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180031 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25.	7032541.cif
126442	2014-11-06	cif/ Updating files of 7032541 Original log message: Adding full bibliography for 7032541.cif.	7032541.cif
123728	2014-09-12	cif/ Adding structures of 7032541 via cif-deposit CGI script.	7032541.cif