Crystallography Open Database

Information card for entry 7043232

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Coordinates	7043232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B11 Ca2 H7 O22
Calculated formula	B11 Ca2 H7 O22
Title of publication	Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters
Authors of publication	Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie
Journal of publication	Dalton Trans.
Year of publication	2017
a	6.51 ± 0.0004 Å
b	20.4228 ± 0.0008 Å
c	6.6513 ± 0.0005 Å
α	90°
β	119.029 ± 0.009°
γ	90°
Cell volume	773.21 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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