Crystallography Open Database

Information card for entry 7703286

Preview

Coordinates	7703286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66.49 H39.99 B3 Cl4 F15 N4
Calculated formula	C66.5 H40 B3 Cl4 F15 N4
Title of publication	Reactions of carbene-stabilized borenium cations.
Authors of publication	Lam, Jolie; Cao, Levy L.; Farrell, Jeffrey M.; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	6
Pages of publication	1839 - 1846
a	13.8682 ± 0.001 Å
b	16.2404 ± 0.0013 Å
c	16.2477 ± 0.0012 Å
α	78.806 ± 0.005°
β	80.992 ± 0.004°
γ	66.332 ± 0.004°
Cell volume	3275.2 ± 0.4 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1801
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2089
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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