Crystallography Open Database

Information card for entry 1565787

Preview

Coordinates	1565787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H76 F16 O8 Ti2
Calculated formula	C63 H76 F16 O8 Ti2
Title of publication	Novel alkoxo-titanium(IV) complexes with fluorinated 2-hydroxymethylphenol derivatives as catalysts for the formation of ultra-high molecular weight polyethylene nascent reactor powders
Authors of publication	Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Kurmaev, Dmitry A.; Zubkevich, Sergei V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Mikhaylik, Elena S.; Golubev, Evgenii K.; Buzin, Mikhail I.; Nikiforova, Galina G.; Vasil'ev, Viktor G.; Zvukova, Tamara M.; Bulychev, Boris M.
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119159
a	10.948 ± 0.002 Å
b	11.972 ± 0.002 Å
c	13.708 ± 0.003 Å
α	94.8 ± 0.03°
β	103.1 ± 0.03°
γ	110.41 ± 0.03°
Cell volume	1613.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.80246 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271472 (current)	2021-12-16	cif/ Adding structures of 1565787 via cif-deposit CGI script.	1565787.cif