Crystallography Open Database

Information card for entry 7126215

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Coordinates	7126215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H10 I6 N6 Sn2
Calculated formula	C3 H10 I6 N6 Sn2
Title of publication	Unprecedented tin iodide perovskite-like structures featuring ordering of organic moieties.
Authors of publication	McNulty, Jason A.; Lightfoot, Philip
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	33
Pages of publication	4543 - 4546
a	9.0746 ± 0.0006 Å
b	9.0746 ± 0.0006 Å
c	25.3561 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2088 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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