Crystallography Open Database

Information card for entry 4063504

Preview

Coordinates	4063504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H40 Al N O Ti
Calculated formula	C19 H40 Al N O Ti
SMILES	[Ti]12345([O]([Al](C)(C)C)[N]1(CC)CC)(C)(C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
Title of publication	Propylene Polymerization with Cyclopentadienyltitanium(IV) Hydroxylaminato Complexes
Authors of publication	Dove, Andrew P.; Kiesewetter, Elizabeth T.; Ottenwaelder, Xavier; Waymouth, Robert M.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	405 - 412
a	9.1429 ± 0.0005 Å
b	18.1706 ± 0.0009 Å
c	13.7083 ± 0.0007 Å
α	90°
β	98.257 ± 0.001°
γ	90°
Cell volume	2253.8 ± 0.2 Å³
Cell temperature	166 K
Ambient diffraction temperature	166 K
Number of distinct elements	6
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	0.0503
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178530 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35.	4063504.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063504.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063504.cif
22814	2011-07-25	../uploads/cif-deposit/cod/cif Adding structures of 4063504 via cif-deposit CGI script.	4063504.cif