Crystallography Open Database

Information card for entry 4071093

Preview

Coordinates	4071093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H43 B F3 N4 O3.5 S
Calculated formula	C30 H43 B F3 N4 O3.5 S
Title of publication	Diarylborenium Cations: Synthesis, Structure, and Electrochemistry
Authors of publication	Chiu, Ching-Wen; Gabbaï, François P.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1657
a	8.11 ± 0.003 Å
b	13.043 ± 0.004 Å
c	15.489 ± 0.005 Å
α	85.454 ± 0.003°
β	78.149 ± 0.003°
γ	83.434 ± 0.004°
Cell volume	1590.3 ± 0.9 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071093.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071093.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071093.cif
43038	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071093 via cif-deposit CGI script.	4071093.cif