Crystallography Open Database

Information card for entry 7708431

Preview

Coordinates	7708431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H36 Cl N3 O2 V
Calculated formula	C31 H36 Cl N3 O2 V
SMILES	[V]12(Cl)([N]3=C(OC[C@@H]3C(C)C)c3c(N1c1c(C=[N]2c2c(cccc2C(C)C)C(C)C)cccc1)cccc3)=O
Title of publication	Thermally stable vanadium complexes supported by the iminophenyl oxazolinylphenylamines ligands: Synthesis, characterization and application for ethylene (co-)polymerization
Authors of publication	Wu, Ruiyao; Niu, Zhen; Huang, Lingyun; Yang, Yinxin; Xia, Zhu; Fan, Weifeng; Dai, Quanquan; Cui, Long; He, Jianyun; Bai, Chenxi
Journal of publication	Dalton Transactions
Year of publication	2021
a	10.0346 ± 0.0004 Å
b	16.8085 ± 0.0007 Å
c	17.3076 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2919.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0479
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
269315 (current)	2021-09-27	cif/ Adding structures of 7708431, 7708432 via cif-deposit CGI script.	7708431.cif