Crystallography Open Database

Information card for entry 7015480

Preview

Coordinates	7015480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cl N4 O V
Calculated formula	C38 H50 Cl N4 O V
SMILES	c1(c(cccc1C(C)C)C(C)C)[N]1[V]2([O]3CCCC3)(Cl)(n3cccc3C=1)n1cccc1C=[N]2c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis of vanadium(III) complexes bearing iminopyrrolyl ligands and their role as thermal robust ethylene (co)polymerization catalysts.
Authors of publication	Mu, Jing-Shan; Wang, Yong-Xia; Li, Bai-Xiang; Li, Yue-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	14
Pages of publication	3490 - 3497
a	11.019 ± 0.0009 Å
b	14.89 ± 0.0012 Å
c	22.0694 ± 0.0018 Å
α	90°
β	102.55 ± 0.001°
γ	90°
Cell volume	3534.5 ± 0.5 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179858 (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 7/01/54.	7015480.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015480.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015480.cif
21165	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015479, 7015480 via cif-deposit CGI script.	7015480.cif