Crystallography Open Database

Information card for entry 4076559

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Coordinates	4076559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H23 B F15 N
Calculated formula	C33 H23 B F15 N
Title of publication	Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs
Authors of publication	Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2367
a	10.0966 ± 0.0004 Å
b	10.4671 ± 0.0006 Å
c	16.6994 ± 0.0005 Å
α	73.407 ± 0.004°
β	73.953 ± 0.002°
γ	72.449 ± 0.006°
Cell volume	1577.24 ± 0.13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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