Crystallography Open Database

Information card for entry 7243102

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Coordinates	7243102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H10 B5 Ga N2 O10
Calculated formula	C2 H10 B5 Ga N2 O10
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	6.686 ± 0.005 Å
b	8.082 ± 0.006 Å
c	10.485 ± 0.008 Å
α	90°
β	97.192 ± 0.018°
γ	90°
Cell volume	562.1 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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