Crystallography Open Database

Information card for entry 7049515

Preview

Coordinates	7049515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 F6 Nb
Calculated formula	C19 H15 F6 Nb
Title of publication	Decarbonylation of phenylacetic acids by high valent transition metal halides.
Authors of publication	Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	17
Pages of publication	5725 - 5734
a	8.5095 ± 0.0015 Å
b	12.681 ± 0.002 Å
c	16.036 ± 0.003 Å
α	90°
β	94.183 ± 0.002°
γ	90°
Cell volume	1725.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
224095 (current)	2019-11-07	cif/ Updating files of 7049514, 7049515, 7049516, 7049517, 7049518, 7049519, 7049520 Original log message: Adding full bibliography for 7049514--7049520.cif.	7049515.cif
214393	2019-03-28	cif/ Adding structures of 7049514, 7049515, 7049516, 7049517, 7049518, 7049519, 7049520 via cif-deposit CGI script.	7049515.cif