Crystallography Open Database

Information card for entry 7021896

Preview

Coordinates	7021896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 Cl F2 O4 Ti
Calculated formula	C11 H16 Cl F2 O4 Ti
Title of publication	Ligand-interchange reactions between M(iv) (M = Ti, V) oxide bis-acetylacetonates and halides of high-valent group 4 and 5 metals. A synthetic and electrochemical study.
Authors of publication	Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	39
Pages of publication	14168 - 14177
a	7.348 ± 0.002 Å
b	15.929 ± 0.005 Å
c	12.843 ± 0.004 Å
α	90°
β	91.637 ± 0.004°
γ	90°
Cell volume	1502.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1073
Residual factor for significantly intense reflections	0.1051
Weighted residual factors for significantly intense reflections	0.2541
Weighted residual factors for all reflections included in the refinement	0.255
Goodness-of-fit parameter for all reflections included in the refinement	1.21
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
179923 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/18.	7021896.cif
88857	2013-10-09	cif/ Adding structures of 7021896 via cif-deposit CGI script.	7021896.cif