Crystallography Open Database

Information card for entry 7132742

Preview

Coordinates	7132742.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4-(diphenylamino)pyridin-1-ium)trifluoroborate
Formula	C34 H28 B2 F6 N4
Calculated formula	C34 H28 B2 F6 N4
Title of publication	A multi-chromic boron trifluoride-pyridyl Lewis adduct.
Authors of publication	McDonald, Peter W.; Ritchie, Chris
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	22
Pages of publication	3051 - 3054
a	8.4898 ± 0.0001 Å
b	11.7179 ± 0.0002 Å
c	16.2792 ± 0.0002 Å
α	90.732 ± 0.001°
β	99.945 ± 0.001°
γ	95.106 ± 0.001°
Cell volume	1588.18 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0633
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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