Crystallography Open Database

Information card for entry 7222482

Preview

Coordinates	7222482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H110 Cl2 F6 N2 O6 V2
Calculated formula	C86 H110 Cl2 F6 N2 O6 V2
SMILES	c12c(cc(C(C)(C)C)cc1C(c1ccc(C3c4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[V](=Nc4ccc(cc4)C(F)(F)F)(Oc4c3cc(cc4C(C)(C)C)C(C)(C)C)([O]3CCCC3)Cl)cc1)c1c(O[V](=Nc3ccc(cc3)C(F)(F)F)(O2)([O]2CCCC2)Cl)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability
Authors of publication	Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji
Journal of publication	RSC Adv.
Year of publication	2015
a	10.5705 ± 0.0007 Å
b	11.3001 ± 0.0008 Å
c	17.4045 ± 0.0011 Å
α	94.986 ± 0.007°
β	90.688 ± 0.007°
γ	93.257 ± 0.007°
Cell volume	2067.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1481
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2536
Weighted residual factors for all reflections included in the refinement	0.2885
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
161226 (current)	2015-10-09	cif/ Adding structures of 7222477, 7222478, 7222479, 7222480, 7222481, 7222482, 7222483 via cif-deposit CGI script.	7222482.cif