Crystallography Open Database

Information card for entry 4121671

Preview

Coordinates	4121671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 B F15 N
Calculated formula	C34 H36.6764 B F15 N
Title of publication	An electrochemical study of frustrated lewis pairs: a metal-free route to hydrogen oxidation.
Authors of publication	Lawrence, Elliot J.; Oganesyan, Vasily S.; Hughes, David L.; Ashley, Andrew E.; Wildgoose, Gregory G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	16
Pages of publication	6031 - 6036
a	10.141 ± 0.004 Å
b	18.471 ± 0.007 Å
c	18.792 ± 0.007 Å
α	90°
β	100.504 ± 0.007°
γ	90°
Cell volume	3461 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179018 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16.	4121671.cif
112734	2014-05-04	cif/ Updating files of 4121671 Original log message: Adding full bibliography for 4121671.cif.	4121671.cif
109362	2014-04-11	cif/ Adding structures of 4121671 via cif-deposit CGI script.	4121671.cif