Crystallography Open Database

Information card for entry 7235420

Preview

Coordinates	7235420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 Cl Cu4 F4 N2 O12 P4
Calculated formula	C4 H11 Cl Cu4 F4 N2 O12.13 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	13.9096 ± 0.0006 Å
b	13.6136 ± 0.0005 Å
c	19.723 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3734.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.135
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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