Crystallography Open Database

Information card for entry 7107285

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Coordinates	7107285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2 Cu O5
Calculated formula	C6 H2 Cu O5
Title of publication	The effect of pressure on Cu-btc: framework compression vs. guest inclusion
Authors of publication	Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	1535
a	26.3015 ± 0.0004 Å
b	26.3015 ± 0.0004 Å
c	26.3015 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	18194.6 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for all reflections	0.0927
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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