Crystallography Open Database

Information card for entry 7237070

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Coordinates	7237070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 B2 F8 N2
Calculated formula	C8 H14 B2 F8.008 N2
Title of publication	Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine
Authors of publication	Rok, M.; Szklarz, P.; Bator, G.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	38
Pages of publication	5772
a	9.79 ± 0.004 Å
b	12.442 ± 0.005 Å
c	11.16 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1359.4 ± 0.9 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.2722
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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