Crystallography Open Database

Information card for entry 4500719

Preview

Coordinates	4500719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H7 Cu N O7
Calculated formula	C16 H7 Cu N O7
Title of publication	Consequences of Partial Flexibility in 1,3-Benzenedicarboxylate Linkers: Kagomé Lattice and NbO Supramolecular Isomers from Complexation of a Bulky 1,3-Benzenedicarboxylate to Cu(II) Paddlewheel Moieties
Authors of publication	Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1441
a	23.941 ± 0.005 Å
b	18.794 ± 0.004 Å
c	19.897 ± 0.004 Å
α	90°
β	124.96 ± 0.03°
γ	90°
Cell volume	7337 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1326
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.40663 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179538 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/07.	4500719.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500719.cif
34603	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500719 via cif-deposit CGI script.	4500719.cif