Crystallography Open Database

Information card for entry 4066170

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Coordinates	4066170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H9 B Cl4 F35 N
Calculated formula	C55 H9 B Cl4 F35 N
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	12.1626 ± 0.0002 Å
b	20.6325 ± 0.0006 Å
c	21.2621 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5335.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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