Crystallography Open Database

Information card for entry 7015642

Preview

Coordinates	7015642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 Cl2 N Zr
Calculated formula	C23 H35 Cl2 N Zr
SMILES	[Zr]1234(Cl)(Cl)(N(C)c5c(cccc5C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Half-zirconocene anilide complexes: synthesis, characterization and catalytic properties for ethylene polymerization and copolymerization with 1-hexene.
Authors of publication	Liu, Kefeng; Wu, Qiaolin; Gao, Wei; Mu, Ying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	17
Pages of publication	4715 - 4721
a	9.2297 ± 0.0003 Å
b	12.1798 ± 0.0004 Å
c	21.4452 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2410.78 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179860 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56.	7015642.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015642.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015642.cif
21211	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015642, 7015643, 7015644 via cif-deposit CGI script.	7015642.cif