Crystallography Open Database

Information card for entry 7700654

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Coordinates	7700654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 N12 O24 Y2
Calculated formula	C12 N12 O24 Y2
Title of publication	RE(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>·(OH)·xH<sub>2</sub>O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sup>-</sup> group.
Authors of publication	Hao, Xia; Luo, Min; Lin, Chensheng; Lin, Donghong; Cao, Liling; Ye, Ning
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12296 - 12302
a	9.0268 ± 0.0006 Å
b	9.4796 ± 0.0006 Å
c	9.5849 ± 0.0005 Å
α	88.536 ± 0.005°
β	82.9 ± 0.005°
γ	65.225 ± 0.006°
Cell volume	738.67 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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