Crystallography Open Database

Information card for entry 4113471

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Coordinates	4113471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 B F20 N Pb
Calculated formula	C36 H22 B F20 N Pb
SMILES	[Pb](CC1CC=CC1)(CC)(CC)[N]#CC.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Norbornyl Cations of Group 14 Elements
Authors of publication	Thomas Müller; Christian Bauch; Markus Ostermeier; Michael Bolte; Norbert Auner
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	2158 - 2168
a	17.1043 ± 0.0005 Å
b	19.7079 ± 0.0006 Å
c	22.3659 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7539.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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