Crystallography Open Database

Information card for entry 4079506

Preview

Coordinates	4079506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H74 Cl4 N4 O6 S4 Y2
Calculated formula	C54 H74 Cl4 N4 O6 S4 Y2
Title of publication	Chloroyttrium 2-(1-(Arylimino)alkyl)quinolin-8-olate Complexes: Synthesis, Characterization, and Catalysis of the Ring-Opening Polymerization of ε-Caprolactone
Authors of publication	Zhang, Wenjuan; Liu, Shaofeng; Yang, Wenhong; Hao, Xiang; Glaser, Rainer; Sun, Wen-Hua
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	23
Pages of publication	8178
a	12.856 ± 0.003 Å
b	15.165 ± 0.003 Å
c	18.681 ± 0.004 Å
α	80.81 ± 0.03°
β	79.36 ± 0.03°
γ	73.6 ± 0.03°
Cell volume	3411.4 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178684 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/95.	4079506.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079506.cif
72458	2013-01-21	cif/ Adding structures of 4079504, 4079505, 4079506, 4079507 via cif-deposit CGI script.	4079506.cif