Crystallography Open Database

Information card for entry 4076558

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Coordinates	4076558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H25 B F15 N
Calculated formula	C35.5 H25 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	10.3487 ± 0.0003 Å
b	13.2156 ± 0.0008 Å
c	13.9427 ± 0.0007 Å
α	97.316 ± 0.003°
β	107.85 ± 0.005°
γ	109.846 ± 0.003°
Cell volume	1649.26 ± 0.16 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	0.0645
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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