Crystallography Open Database

Information card for entry 1512469

Preview

Coordinates	1512469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cd Cl3 N5 O7
Calculated formula	C18 H28 Cd Cl3 N5 O7
SMILES	[Cd]123([O]=N(=O)O1)(ON(=[O]2)=O)([OH2])[n]1n(c(C(C)(C)C)cc1C(C)(C)C)Cc1[n]3cccc1.ClC(Cl)Cl
Title of publication	Chelating (pyrazolylmethyl)pyridine ligands: Coordination chemistry and binding properties with zinc(II) and cadmium(II) cations
Authors of publication	Stephen O. Ojwach; George S. Nyamato; Benard Omondi; James Darkw
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	141 - 147
a	15.4975 ± 0.0007 Å
b	9.8086 ± 0.0004 Å
c	19.9825 ± 0.0007 Å
α	90°
β	117.01 ± 0.003°
γ	90°
Cell volume	2706.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0383
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	1512469.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512469.cif
89398	2013-10-24	cif/ Adding structures of 1512469 via cif-deposit CGI script.	1512469.cif