Crystallography Open Database

Information card for entry 4063258

Preview

Structure parameters

Formula	C32 H3 B2 F24 N
Calculated formula	C32 H3 B2 F24 N
SMILES	Fc1c(c(c(F)c(F)c1F)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[B]([N]#CC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors
Authors of publication	Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	2
Pages of publication	349 - 357
a	9.537 ± 0.0015 Å
b	10.722 ± 0.0007 Å
c	17.0989 ± 0.0012 Å
α	73.417 ± 0.005°
β	82.369 ± 0.003°
γ	71.803 ± 0.002°
Cell volume	1590.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.2128
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.2472
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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/4063258.html