Crystallography Open Database

Information card for entry 7709185

Preview

Coordinates	7709185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 B F9 N3
Calculated formula	C28 H23 B F9 N3
SMILES	FC(F)(F)c1[nH+]c(ccc1)[B-](c1nc(ccc1)C(F)(F)F)(c1nc(ccc1)C(F)(F)F)c1ccc(cc1)C(C)(C)C
Title of publication	Fluorinated tris(pyridyl)borate ligand support on coinage metals.
Authors of publication	Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1308 - 1312
a	10.44 ± 0.0006 Å
b	20.0684 ± 0.0012 Å
c	13.0151 ± 0.0008 Å
α	90°
β	101.246 ± 0.002°
γ	90°
Cell volume	2674.5 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.1169
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.248
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272688 (current)	2022-02-04	cif/ Updating files of 7709183, 7709184, 7709185, 7709186, 7709187 Original log message: Adding full bibliography for 7709183--7709187.cif.	7709185.cif
271638	2021-12-28	cif/ Adding structures of 7709183, 7709184, 7709185, 7709186, 7709187 via cif-deposit CGI script.	7709185.cif