Crystallography Open Database

Information card for entry 1516862

Preview

Coordinates	1516862.cif

Structure parameters

Chemical name	Poly(u-(2-pyridinecarboxylato-N,O,O')-(N,N'-dimethylformamide-O)- aqua-(nitrato-O,O')calcium(II))
Formula	C9 H13 Ca N3 O7
Calculated formula	C9 H13 Ca N3 O7
Title of publication	Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity
Authors of publication	Barbara Barszcz; Joanna Masternak; Maciej Hodorowicz; Ewa Matczak-Jon; Agnieszka Jablonska-Wawrzycka; Katarzyna Stadnicka; Malgorzata Zienkiewicz; Karolina Krolewska; Julia Kazmierczak-Baranska
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	85 - 94
a	8.682 ± 0.0002 Å
b	9.564 ± 0.0002 Å
c	16.611 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1379.29 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516862.cif
119557	2014-07-07	cif/ Adding structures of 1516862 via cif-deposit CGI script.	1516862.cif