Crystallography Open Database

Information card for entry 4338034

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Coordinates	4338034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H16 N16 O64 Pb16
Calculated formula	H16 N16 O64 Pb16
Title of publication	A Nitrate Nonlinear Optical Crystal Pb16(OH)16(NO3)16 with a Large Second-Harmonic Generation Response.
Authors of publication	Chang, Lixian; Wang, Li; Su, Xin; Pan, Shilie; Hailili, Reshalaiti; Yu, Hongwei; Yang, Zhihua
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3320
a	25.4814 ± 0.0012 Å
b	17.1832 ± 0.0008 Å
c	18.1746 ± 0.0009 Å
α	90°
β	133.54°
γ	90°
Cell volume	5768.5 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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