Crystallography Open Database

Information card for entry 7125980

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Structure parameters

Formula	B4 Ba F6 H4 O6
Calculated formula	B4 Ba F6 H4 O6
Title of publication	Ba(B<sub>2</sub>OF<sub>3</sub>(OH)<sub>2</sub>)<sub>2</sub> with well-ordered OH/F anions and a unique B<sub>2</sub>OF<sub>3</sub>(OH)<sub>2</sub> dimer.
Authors of publication	Gai, Minqiang; Wang, Ying; Tong, Tinghao; Wang, Liying; Yang, Zhihua; Zhou, Xin; Pan, Shilie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	22
Pages of publication	3301 - 3304
a	6.803 ± 0.002 Å
b	7.008 ± 0.002 Å
c	9.588 ± 0.003 Å
α	90°
β	92.96 ± 0.004°
γ	90°
Cell volume	456.5 ± 0.2 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0144
Residual factor for significantly intense reflections	0.0144
Weighted residual factors for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0334
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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