Crystallography Open Database

Information card for entry 7205662

7205661 << 7205662 >> 7205663

Preview

Coordinates	7205662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 Cu2 N4 O12
Calculated formula	C44 H28 Cu2 N4 O12
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	14.981 ± 0.002 Å
b	36.371 ± 0.005 Å
c	10.922 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5951.1 ± 1.6 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0491
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7205662.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205662.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205662.cif
20982	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205660, 7205661, 7205662 via cif-deposit CGI script.	7205662.cif