Crystallography Open Database

Information card for entry 1515668

Preview

Coordinates	1515668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 B F12 N2 O P
Calculated formula	C36 H36 B F12 N2 O P
SMILES	[P+](N=NO[B](c1c(F)c(F)cc(F)c1F)(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F)(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	19.5019 ± 0.001 Å
b	16.3963 ± 0.0007 Å
c	21.7273 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6947.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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