Crystallography Open Database

Information card for entry 4500290

Preview

Coordinates	4500290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Cu N4 O3
Calculated formula	C13 H11 Cu N4 O3
Title of publication	Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies
Authors of publication	Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1122
a	6.673 ± 0.004 Å
b	14.874 ± 0.003 Å
c	12.472 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1237.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.237
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179533 (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 4/50/02.	4500290.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500290.cif
34434	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500286, 4500287, 4500288, 4500289, 4500290, 4500291, 4500292, 4500293 via cif-deposit CGI script.	4500290.cif