Crystallography Open Database

Information card for entry 4104730

Preview

Coordinates	4104730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 B F15 N2 O P
Calculated formula	C30 H27 B F15 N2 O P
SMILES	[P+](N=NO[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Complexation of Nitrous Oxide by Frustrated Lewis Pairs
Authors of publication	Edwin Otten; Rebecca C. Neu; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9918 - 9919
a	9.5265 ± 0.0004 Å
b	11.6603 ± 0.0005 Å
c	14.3458 ± 0.0007 Å
α	76.604 ± 0.001°
β	89.071 ± 0.001°
γ	87.194 ± 0.001°
Cell volume	1548.32 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0322
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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