Crystallography Open Database

Information card for entry 7058576

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Coordinates	7058576.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	K2B4O5(OH)4
Formula	B4 H4 K2 O9
Calculated formula	B4 H4 K2 O9
Title of publication	K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks
Authors of publication	Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	29
Pages of publication	11660
a	10.205 ± 0.009 Å
b	6.629 ± 0.006 Å
c	12.045 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	814.8 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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