Crystallography Open Database

Information card for entry 7709104

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Coordinates	7709104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H22 As N9 O6
Calculated formula	C3 H22 As N9 O6
Title of publication	Hybrid organic-inorganic triguanidine arsenate dihydrate for ultraviolet nonlinear optical application
Authors of publication	Wang, Dongmei; Wei, Zhuangzhuang; Bai, Zhiyong; Liu, Lehui; Lin, Zhoubin; Zhang, Lizhen
Journal of publication	Dalton Transactions
Year of publication	2021
a	6.585 ± 0.0003 Å
b	17.7646 ± 0.0007 Å
c	12.3972 ± 0.0005 Å
α	90°
β	104.506 ± 0.004°
γ	90°
Cell volume	1403.99 ± 0.1 Å³
Cell temperature	235 ± 30 K
Ambient diffraction temperature	235 ± 30 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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