Crystallography Open Database

Information card for entry 7033767

Preview

Coordinates	7033767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Al Cl2 N2 Zr
Calculated formula	C17 H27 Al Cl2 N2 Zr
SMILES	[Zr]123([N]45[Al]([N]61[C@@H](C)CCC1[C]36=[C]42C(=CC=1)CC[C@@H]5C)(C)C)(Cl)(Cl)C
Title of publication	Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.
Authors of publication	Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	8
Pages of publication	3845 - 3855
a	10.1189 ± 0.0001 Å
b	13.5588 ± 0.0002 Å
c	14.7171 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2019.19 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0229
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180043 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/37.	7033767.cif
133408	2015-03-06	cif/ Updating files of 7033764, 7033765, 7033766, 7033767, 7033768 Original log message: Adding full bibliography for 7033764--7033768.cif.	7033767.cif
130072	2015-01-23	cif/ Adding structures of 7033764, 7033765, 7033766, 7033767, 7033768 via cif-deposit CGI script.	7033767.cif