Crystallography Open Database

Information card for entry 1514152

Preview

Coordinates	1514152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H32 Cu3 O21.5
Calculated formula	C33 H30 Cu3 O21
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	18.7034 ± 0.0003 Å
b	18.7034 ± 0.0003 Å
c	6.878 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	2083.69 ± 0.06 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for all reflections	0.0823
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	0.9536
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.	1514152.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.	1514152.cif