Crystallography Open Database

Information card for entry 7128388

Preview

Coordinates	7128388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Ba5 Cl2 S8
Calculated formula	B2 Ba5 Cl2 S8
Title of publication	Ba<sub>2</sub>BS<sub>3</sub>Cl and Ba<sub>5</sub>B<sub>2</sub>S<sub>8</sub>Cl<sub>2</sub>: first alkaline-earth metal thioborate halides with [BS<sub>3</sub>] units.
Authors of publication	Zhou, Jiazheng; Chu, Yu; Li, Junjie; Pan, Shilie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	52
Pages of publication	6440 - 6443
a	23.318 ± 0.011 Å
b	8.609 ± 0.004 Å
c	8.942 ± 0.004 Å
α	90°
β	94.033 ± 0.006°
γ	90°
Cell volume	1790.6 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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