Crystallography Open Database

Information card for entry 7116331

Preview

Coordinates	7116331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H20 Cu3 N2 O15
Calculated formula	C42 H20 Cu3 N2 O15
Title of publication	Assembly of metal-organic polyhedra into highly porous frameworks for ethene delivery
Authors of publication	Ulrich Stoeck; Irena Senkovska; Volodymyr Bon; Simon Krause; Stefan Kaskel
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	1046
a	27.86 ± 0.003 Å
b	27.86 ± 0.003 Å
c	27.86 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	21624 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	0.871
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.88561 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180277 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63.	7116331.cif
129555	2015-01-12	cif/ Adding structures of 7116331, 7116332 via cif-deposit CGI script.	7116331.cif