Crystallography Open Database

Information card for entry 4115392

Preview

Coordinates	4115392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H50 Cl2 N2 O4 Ti
Calculated formula	C60.96 H43.3 Cl1.303 N2 O4 Ti
Title of publication	To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems
Authors of publication	Yu Yuan; Xin Li; Jie Sun; Kuiling Ding
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	14866 - 14867
a	13.1301 ± 0.0004 Å
b	13.1301 ± 0.0004 Å
c	50.308 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7511.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.1488
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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
178924 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/53.	4115392.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115392.cif
68859	2012-11-21	cif/ Adding structures of 4115392 via cif-deposit CGI script.	4115392.cif