Crystallography Open Database

Information card for entry 1515666

Preview

Coordinates	1515666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 B F12 N2 O P
Calculated formula	C30 H30 B F12 N2 O P
SMILES	Fc1c(c(F)c(F)cc1F)[B](ON=N[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F
Title of publication	The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes
Authors of publication	Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	1
Pages of publication	170
a	11.6507 ± 0.0006 Å
b	13.7877 ± 0.0006 Å
c	19.5448 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3139.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515666.cif
111898	2014-04-28	cif/ Adding structures of 1515665, 1515666, 1515667, 1515668, 1515669, 1515670, 1515671 via cif-deposit CGI script.	1515666.cif