Crystallography Open Database

Information card for entry 7235419

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Coordinates	7235419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl Cu4 F4 H4 N O12 P4
Calculated formula	Cl Cu4 F4 H4 N O12 P4
Title of publication	Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines
Authors of publication	Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	1
Pages of publication	160
a	9.8043 ± 0.001 Å
b	9.8043 ± 0.001 Å
c	7.4487 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	716 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.2178
Residual factor for significantly intense reflections	0.1203
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.2272
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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