Crystallography Open Database

Information card for entry 1515669

Preview

Coordinates	1515669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H47 B Cl F3 O P2
Calculated formula	C37 H47 B Cl F3 O P2
SMILES	ClCCl.Fc1ccc(cc1)[B](c1ccc(cc1)F)(c1ccc(cc1)F)[O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
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	9.5346 ± 0.0005 Å
b	21.1476 ± 0.0009 Å
c	17.6877 ± 0.0008 Å
α	90°
β	102.604 ± 0.001°
γ	90°
Cell volume	3480.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	1515669.cif
111898	2014-04-28	cif/ Adding structures of 1515665, 1515666, 1515667, 1515668, 1515669, 1515670, 1515671 via cif-deposit CGI script.	1515669.cif