Crystallography Open Database

Information card for entry 4075926

Preview

Coordinates	4075926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.25 H68 Cl Er N2 O3
Calculated formula	C43.25 H57.75 Cl Er N2 O3
Title of publication	Synthesis, Reactivity, and Characterization of Amine Bis(phenolate) Lanthanide Complexes and Their Application in the Polymerization ofε-Caprolactone
Authors of publication	Yao, Yingming; Ma, Mengtao; Xu, Xiaoping; Zhang, Yong; Shen, Qi; Wong, Wing-Tak
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	4014
a	38.036 ± 0.003 Å
b	14.6408 ± 0.0007 Å
c	36.156 ± 0.003 Å
α	90°
β	118.847 ± 0.001°
γ	90°
Cell volume	17636 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0503
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4075926.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075926.cif
50745	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075925, 4075926, 4075927, 4075928, 4075929 via cif-deposit CGI script.	4075926.cif