Crystallography Open Database

Information card for entry 4076550

Preview

Coordinates	4076550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H36 B2 Br F30 N2
Calculated formula	C58 H36 B2 Br F30 N2
Title of publication	Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs
Authors of publication	Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2367
a	9.3616 ± 0.0018 Å
b	11.479 ± 0.002 Å
c	15.046 ± 0.003 Å
α	73.474 ± 0.009°
β	85.102 ± 0.009°
γ	67.335 ± 0.006°
Cell volume	1429.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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/4076550.html