Crystallography Open Database

Information card for entry 4088573

Preview

Coordinates	4088573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.5 H36 B Cl2 F15 N3 V
Calculated formula	C53.5 H36 B Cl2 F15 N3 V
Title of publication	Synthesis of (Imido)Vanadium(V) Dichloride Complexes Containing Anionic N-Heterocyclic Carbenes That Contain a Weakly Coordinating Borate Moiety: New MAO-Free Ethylene Polymerization Catalysts
Authors of publication	Igarashi, Atsushi; Kolychev, Eugene L.; Tamm, Matthias; Nomura, Kotohiro
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1778
a	14.696 ± 0.003 Å
b	19.462 ± 0.004 Å
c	18.195 ± 0.004 Å
α	90°
β	109.032 ± 0.004°
γ	90°
Cell volume	4919.5 ± 1.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
276328 (current)	2022-06-28	cif/4/08/85/ Removed the '_chemical_name_systematic' data item that had an incorrect value from entry 4088573.	4088573.cif
237673	2019-11-24	cif/ Adding structures of 4088572, 4088573, 4088574 via cif-deposit CGI script.	4088573.cif