Crystallography Open Database

Information card for entry 4066172

Preview

Coordinates	4066172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H13 B Cl3 F25
Calculated formula	C49.5 H13 B Cl3 F25
Title of publication	Divergent Reactivity of Perfluoropentaphenylborole with Alkynes§
Authors of publication	Fan, Cheng; Piers, Warren E.; Parvez, Masood; McDonald, Robert
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5132
a	21.024 ± 0.002 Å
b	16.831 ± 0.005 Å
c	25.894 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	9163 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1852
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4066172.html