Crystallography Open Database

Information card for entry 7031534

Preview

Coordinates	7031534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 Cl0 N3 O4 V
Calculated formula	C33 H48 N3 O4 V
SMILES	[V]12(Oc3c(C[N]1(Cc1ncccc1)Cc1[n]2cccc1)cc(cc3C(C)(C)C)C(C)(C)C)(OCCC)(OCCC)=O
Title of publication	[ONN]-type amine pyridine(s) phenolate-based oxovanadium(v) catalysts for ethylene homo- and copolymerization.
Authors of publication	Wang, Jia-Bao; Lu, Ling-Pan; Liu, Jing-Yu; Li, Yue-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	34
Pages of publication	12926
a	40.3177 ± 0.0011 Å
b	40.3177 ± 0.0011 Å
c	11.1035 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	15630.8 ± 1 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1479
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
180021 (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 7/03/15.	7031534.cif
121679	2014-08-08	cif/ Updating files of 7031534, 7031535, 7031536 Original log message: Adding full bibliography for 7031534--7031536.cif.	7031534.cif
118926	2014-07-03	cif/ Adding structures of 7031534, 7031535, 7031536 via cif-deposit CGI script.	7031534.cif