Crystallography Open Database

Information card for entry 4072474

Preview

Coordinates	4072474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl3 N2 Si Ta
Calculated formula	C16 H22 Cl3 N2 Si Ta
SMILES	[Ta]1(Cl)(Cl)(Cl)([n]2ccccc2)([n]2ccccc2)C(=C1C)[Si](C)(C)C
Title of publication	Alkyne Exchange Reactions of Silylalkyne Complexes of Tantalum: Mechanistic Investigation and Its Application in the Preparation of New Tantalum Complexes Having Functional Alkynes (PhC⋮CR (R = COOMe, CONMe2))
Authors of publication	Oshiki, Toshiyuki; Yamada, Atsushi; Kawai, Kimio; Arimitsu, Hirotaka; Takai, Kazuhiko
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	1
Pages of publication	173
a	9.515 ± 0.002 Å
b	13.757 ± 0.003 Å
c	15.565 ± 0.002 Å
α	90°
β	95.475 ± 0.01°
γ	90°
Cell volume	2028.1 ± 0.7 Å³
Cell temperature	150.2 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 significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.258
Goodness-of-fit parameter for all reflections included in the refinement	1.908
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoK´a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072474.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072474.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072474.cif
45839	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072472, 4072473, 4072474, 4072475, 4072476 via cif-deposit CGI script.	4072474.cif