Crystallography Open Database

Information card for entry 2212943

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Structure parameters

Chemical name	(Acetonitrile){hydridotris[3,5-bis(trifluoromethyl)-1- pyrazolyl]borato}copper(I)
Formula	C17 H6.97 B Cu F18 N7
Calculated formula	C17 H6.97 B Cu F18 N7
Title of publication	(Acetonitrile){hydridotris[3,5-bis(trifluoromethyl)-1-pyrazolyl]borato}copper(I)
Authors of publication	Marielle Nicole C. Balili; Tomislav Pintauer
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	4
Pages of publication	m988 - m990
a	13.051 ± 0.0014 Å
b	13.051 ± 0.0014 Å
c	25.047 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3694.7 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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