Crystallography Open Database

Information card for entry 7205661

7205660 << 7205661 >> 7205662

Preview

Coordinates	7205661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Cu2 N4 O14
Calculated formula	C38 H28 Cu2 N4 O14
Title of publication	Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers
Authors of publication	Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	3130
a	15.2248 ± 0.0003 Å
b	36.4392 ± 0.0007 Å
c	10.3036 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5716.23 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180387 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/56.	7205661.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205661.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205661.cif
20982	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205660, 7205661, 7205662 via cif-deposit CGI script.	7205661.cif