Crystallography Open Database

Information card for entry 1514153

Preview

Coordinates	1514153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 Cu3 O23
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	18.6631 ± 0.0014 Å
b	18.6631 ± 0.0014 Å
c	6.9006 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	2081.5 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.062
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for all reflections	0.0742
Weighted residual factors for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	1.1519
Diffraction radiation wavelength	0.4859 Å
Diffraction radiation type	synchrotron
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.	1514153.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.	1514153.cif