Crystallography Open Database

Information card for entry 1511839

Preview

Coordinates	1511839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H30 Cl3 N O S Ti
Calculated formula	C26.5 H29.5 Cl3 N O S Ti
Title of publication	Copolymerization of Ethylene with Functionalized Olefins by [ONX] Titanium Complexes
Authors of publication	Chen, Zhou; Li, Jun-Fang; Tao, Wen-Jie; Sun, Xiu-Li; Yang, Xiao-Hong; Tang, Yong
Journal of publication	Macromolecules
Year of publication	2013
Journal volume	46
Journal issue	7
Pages of publication	2870
a	9.4097 ± 0.0008 Å
b	16.5333 ± 0.0014 Å
c	17.4411 ± 0.0014 Å
α	90°
β	103.276 ± 0.001°
γ	90°
Cell volume	2640.9 ± 0.4 Å³
Cell temperature	132 ± 2 K
Ambient diffraction temperature	132 ± 2 K
Number of distinct elements	7
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	0.0335
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1511839.cif
85737	2013-05-07	cif/ Adding structures of 1511839 via cif-deposit CGI script.	1511839.cif