Crystallography Open Database

Information card for entry 4116916

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Structure parameters

Chemical name	Phenyldiazonium tetraphenylborate diiodomethane hemisolvate
Formula	C60.8 H51.6 B2 I1.6 N4
Calculated formula	C60.8 H51.6 B2 I1.6 N4
Title of publication	Unusually Short (C-H...π) Hydrogen Bonds for Effective Supramolecular (Aromatic/Aromatic) Organization in Edge-to-Face Motifs
Authors of publication	S. V. Lindeman; D. Kosynkin; J. K. Kochi
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	13268 - 13269
a	9.974 ± 0.0001 Å
b	21.2237 ± 0.0003 Å
c	26.0147 ± 0.0001 Å
α	83.859 ± 0.001°
β	81.932 ± 0.001°
γ	83.204 ± 0.001°
Cell volume	5391.19 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1141
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for all reflections	0.196
Weighted residual factors for significantly intense reflections	0.166
Goodness-of-fit parameter for all reflections	1.108
Goodness-of-fit parameter for significantly intense reflections	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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