Crystallography Open Database

Information card for entry 1548523

Preview

Coordinates	1548523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Al3 F N O12.5 P3
Calculated formula	C4 H12 Al3 F N O12.5 P3
Title of publication	Origin of the structure-directing effect resulting in identical topological open-framework materials
Authors of publication	Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan
Journal of publication	Scientific Reports
Year of publication	2015
Journal volume	5
Pages of publication	14940
a	9.199 ± 0.004 Å
b	9.202 ± 0.004 Å
c	9.295 ± 0.004 Å
α	87.525 ± 0.008°
β	79.027 ± 0.008°
γ	87.884 ± 0.007°
Cell volume	771.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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