Crystallography Open Database

Information card for entry 7032586

Preview

Coordinates	7032586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N3
Calculated formula	C32 H39 N3
Title of publication	2-(1-Aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridyl iron(ii) dichloride: synthesis, characterization, and the highly active and tunable active species in ethylene polymerization.
Authors of publication	Huang, Fang; Xing, Qifeng; Liang, Tongling; Flisak, Zygmunt; Ye, Bin; Hu, Xinquan; Yang, Wenhong; Sun, Wen-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	44
Pages of publication	16818 - 16829
a	7.8001 ± 0.0016 Å
b	14.869 ± 0.003 Å
c	23.458 ± 0.005 Å
α	90°
β	92.03 ± 0.03°
γ	90°
Cell volume	2718.9 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180031 (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 7/03/25.	7032586.cif
126430	2014-11-06	cif/ Updating files of 7032586, 7032587, 7032588 Original log message: Adding full bibliography for 7032586--7032588.cif.	7032586.cif
123908	2014-09-17	cif/ Adding structures of 7032586, 7032587, 7032588 via cif-deposit CGI script.	7032586.cif