Crystallography Open Database

Information card for entry 4083400

Preview

Coordinates	4083400.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2-((dimetrylamino)dimetrylsilyl)-1-phenylethyl) -2,6-diisopropylbenzenamino 1-azaallyl zirconium chlorides
Formula	C24 H35 Cl3 N2 Si Zr
Calculated formula	C24 H35 Cl3 N2 Si Zr
SMILES	[Zr]123(Cl)(Cl)(Cl)N(c4c(cccc4C(C)C)C(C)C)[CH]3(=[CH]2[Si]([N]1(C)C)(C)C)c1ccccc1
Title of publication	(η3-Azaallyl)zirconium Chlorides: Synthesis, Characterization, and Ethylene (Co-)polymerization Activity
Authors of publication	Yuan, Shifang; Bai, Shengdi; Liu, Diansheng; Sun, Wen-Hua
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	9
Pages of publication	2132
a	9.2515 ± 0.0015 Å
b	15.407 ± 0.003 Å
c	19.695 ± 0.003 Å
α	90°
β	91.581 ± 0.019°
γ	90°
Cell volume	2806.2 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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 all reflections	0.0623
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
178723 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34.	4083400.cif
114524	2014-05-24	cif/ Adding structures of 4083397, 4083398, 4083399, 4083400 via cif-deposit CGI script.	4083400.cif