Crystallography Open Database

Information card for entry 1514166

Preview

Coordinates	1514166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Cu3 O28
Calculated formula	C18 H6 Cu3 O15
Title of publication	The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.
Authors of publication	McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.
Journal of publication	Nanoscale
Year of publication	2014
Journal volume	6
Journal issue	8
Pages of publication	4163 - 4173
a	26.37 ± 0.003 Å
b	26.37 ± 0.003 Å
c	26.37 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	18337 ± 4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Ambient diffracton pressure	0.2 kPa
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	0.0764
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections	0.0869
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514166.cif
108351	2014-03-30	cif/ Adding structures of 1514150, 1514151, 1514152, 1514153, 1514154, 1514155, 1514156, 1514157, 1514158, 1514159, 1514160, 1514161, 1514162, 1514163, 1514164, 1514165, 1514166 via cif-deposit CGI script.	1514166.cif