Crystallography Open Database

Information card for entry 7113818

Preview

Coordinates	7113818.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(N-tButyl(perfluorophenyl)amidate)titanium-bis(diethylamide)
Formula	C30 H38 F10 N4 O2 Ti
Calculated formula	C30 H38 F10 N4 O2 Ti
Title of publication	Amidate complexes of titanium and zirconium: a new class of tunable precatalysts for the hydroamination of alkynes
Authors of publication	Li, Chunyu; Thomson, Robert K.; Gillon, Bronwyn; Patrick, Brian O.; Schafer, Laurel L.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	19
Pages of publication	2462 - 2463
a	10.5104 ± 0.001 Å
b	20.1035 ± 0.0018 Å
c	15.8198 ± 0.0014 Å
α	90°
β	90.99 ± 0.004°
γ	90°
Cell volume	3342.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.1039
Weighted residual factors for significantly intense reflections	0.259
Weighted residual factors for all reflections included in the refinement	0.2757
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104811
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210614 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7104811, 7113818. Marking entry 7113818 as a duplicate of entry 7104811.	7113818.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113818.cif
115290	2014-06-02	cif/ Adding structures of 7113818 via cif-deposit CGI script.	7113818.cif