Crystallography Open Database

Information card for entry 4500482

Preview

Coordinates	4500482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 Cu N3 O5
Calculated formula	C11 H12 Cu N3 O5
Title of publication	Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies
Authors of publication	Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1631
a	23.234 ± 0.006 Å
b	5.1735 ± 0.0012 Å
c	11.294 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1357.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1778
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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
179535 (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 4/50/04.	4500482.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500482.cif
34514	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500481, 4500482, 4500483 via cif-deposit CGI script.	4500482.cif