Crystallography Open Database

Information card for entry 7243100

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Coordinates	7243100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 H13 K O25
Calculated formula	B12 H12.9996 K O25
Title of publication	From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates
Authors of publication	Qiu, Qi-Ming; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	30
Pages of publication	5200 - 5207
a	12.243 ± 0.003 Å
b	12.243 ± 0.003 Å
c	12.243 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1835.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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