Crystallography Open Database

Information card for entry 7107288

Preview

Coordinates	7107288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 Cu2 O10
Calculated formula	C12 H4 Cu2 O10
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	26.3081 ± 0.0012 Å
b	26.3081 ± 0.0012 Å
c	26.3081 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	18208.3 ± 1.4 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	0.0612
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for all reflections	0.0685
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.0076
Diffraction radiation wavelength	0.4859 Å
Diffraction radiation type	?
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7107288.html