Crystallography Open Database

Information card for entry 7115906

Preview

Coordinates	7115906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cu3 N3 O30.75
Calculated formula	C21 H15 Cu3 N3 O30.75
Title of publication	The influence of the enantiomeric ratio of an organic ligand on the structure and chirality of metal-organic frameworks
Authors of publication	Ivan Burneo; Kyriakos C. Stylianou; Inhar Imaz; Daniel Maspoch
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13829
a	34.182 ± 0.003 Å
b	34.182 ± 0.003 Å
c	34.182 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	39939 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	196
Hermann-Mauguin space group symbol	F 2 3
Hall space group symbol	F 2 2 3
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.267
Weighted residual factors for all reflections included in the refinement	0.2775
Goodness-of-fit parameter for all reflections included in the refinement	1.196
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180273 (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 7/11/59.	7115906.cif
128122	2014-12-04	cif/ Adding structures of 7115905, 7115906, 7115907 via cif-deposit CGI script.	7115906.cif