Crystallography Open Database

Information card for entry 4320916

4320915 << 4320916 >> 4320917

Preview

Coordinates	4320916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Cu N4 O8
Calculated formula	C12 H18 Cu N4 O8
SMILES	[Cu]12(OC(=O)c3[n]2cc(C)nc3)(OC(=O)c2[n]1cc(nc2)C)[OH2].O.O.O
Title of publication	Metal-Containing Ligands for Mixed-Metal Polymers: Novel Cu(II)-Ag(I) Mixed-Metal Coordination Polymers Generated from [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O and Silver(I) Salts
Authors of publication	Yu-Bin Dong; Mark D. Smith; Hans-Conrad zur Loye
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1943 - 1949
a	10.498 ± 0.002 Å
b	11 ± 0.002 Å
c	8.1424 ± 0.0016 Å
α	98.33 ± 0.03°
β	101.83 ± 0.03°
γ	66.68 ± 0.03°
Cell volume	843 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320916.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320916.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320916.cif
18238	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320916 via cif-deposit CGI script.	4320916.cif