Crystallography Open Database

Information card for entry 4110304

Preview

Coordinates	4110304.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UMCM-150
Formula	C30 H14 Cu3 O14
Calculated formula	C30 H14 Cu3 O14
Title of publication	Porous Crystal Derived from a Tricarboxylate Linker with Two Distinct Binding Motifs
Authors of publication	Antek G. Wong-Foy; Olivier Lebel; Adam J. Matzger
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	15740 - 15741
a	18.3532 ± 0.0011 Å
b	18.3532 ± 0.0011 Å
c	40.667 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	11863.1 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1576
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2217
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178874 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03.	4110304.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110304.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110304.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110304.cif