Crystallography Open Database

Information card for entry 4500481

Preview

Coordinates	4500481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 Cu N5 O7 S
Calculated formula	C17 H20 Cu N5 O7 S
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	10.3197 ± 0.001 Å
b	19.6947 ± 0.0019 Å
c	11.0388 ± 0.0011 Å
α	90°
β	112.798 ± 0.002°
γ	90°
Cell volume	2068.3 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0831
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.281
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.	4500481.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500481.cif
34514	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500481, 4500482, 4500483 via cif-deposit CGI script.	4500481.cif