Crystallography Open Database

Information card for entry 7043348

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Coordinates	7043348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br H6 O6 P3 Sn2
Calculated formula	Br H6 O6 P3 Sn2
Title of publication	A new method for the preparation of [Sn2(H2PO2)3]Br SHG-active polar crystal by surfactant-induced strategy
Authors of publication	Xie, Jie-Ling; Zhou, Yu-Hua; Li, Longhua; Zhang, Jian-Han; Song, Jun-Ling
Journal of publication	Dalton Trans.
Year of publication	2017
a	5.4177 ± 0.0004 Å
b	7.1467 ± 0.0007 Å
c	13.8359 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	535.71 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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