Crystallography Open Database

Information card for entry 7244188

Preview

Coordinates	7244188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B21 Ca3 H6 Li3 O39
Calculated formula	B21 Ca3 H6 Li3 O39
Title of publication	Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates
Authors of publication	Chen, Chong-An; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2022
a	8.7306 ± 0.0005 Å
b	8.7306 ± 0.0005 Å
c	12.5809 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	830.48 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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