Crystallography Open Database

Information card for entry 2014784

2014783 << 2014784 >> 2014785

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Structure parameters

Chemical name	1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane
Formula	C25 H12 B F15 N2
Calculated formula	C25 H12 B F15 N2
SMILES	Fc1c(c(F)c(F)c(F)c1F)[B](c1[n](c(c([n]1C)C)C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	A main-group donor‒acceptor adduct: 1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane
Authors of publication	Phillips, Andrew D.; Power, Philip P.
Journal of publication	Acta Crystallographica Section C
Year of publication	2005
Journal volume	61
Journal issue	5
Pages of publication	o291 - o293
a	24.253 ± 0.002 Å
b	13.953 ± 0.0012 Å
c	20.2762 ± 0.0019 Å
α	90°
β	125.102 ± 0.002°
γ	90°
Cell volume	5613.6 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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