Crystallography Open Database

Information card for entry 2016558

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Structure parameters

Chemical name	Hexacopper(I) phosphorus(V) bromide penta(selenide/sulfide)
Formula	Br Cu6.1 P S1.632 Se3.368
Calculated formula	Br Cu6.0996 P S1.6316 Se3.3684
Title of publication	Hexacopper(I) phosphorus(V) bromide penta(selenide/sulfide), Cu~6~P(Se~0.7~S~0.3~)~5~Br
Authors of publication	Gagor, A.; Pietraszko, A.; Panko, V. V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2008
Journal volume	64
Journal issue	4
Pages of publication	i33 - i34
a	9.9821 ± 0.0011 Å
b	9.9821 ± 0.0011 Å
c	9.9821 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	994.64 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0417
Goodness-of-fit parameter for all reflections included in the refinement	1.44
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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