Crystallography Open Database

Information card for entry 7115907

Preview

Coordinates	7115907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cu3 N3 O26.5
Calculated formula	C21 H15 Cu3 N3 O26.5
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	17.53 ± 0.003 Å
b	20.037 ± 0.003 Å
c	21.05 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7394 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P c n n
Hall space group symbol	-P 2ab 2c
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.2013
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
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.	7115907.cif
128122	2014-12-04	cif/ Adding structures of 7115905, 7115906, 7115907 via cif-deposit CGI script.	7115907.cif