Crystallography Open Database

Information card for entry 1509144

Preview

Coordinates	1509144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 Cl2 N14 O8 Zn2
Calculated formula	C16 H28 Cl2 N14 O8 Zn2
Title of publication	New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine
Authors of publication	Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.
Journal of publication	Inorganica Chimica Acta
Year of publication	2011
Journal volume	378
Pages of publication	194 - 201
a	9.018 ± 0.005 Å
b	12.357 ± 0.005 Å
c	13.105 ± 0.005 Å
α	68.762 ± 0.005°
β	88.86 ± 0.005°
γ	88.401 ± 0.005°
Cell volume	1360.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1692
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.238
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71069 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.	1509144.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1509144.cif
82100	2013-04-22	cif/ Updating files of 1509144 Original log message: Wrong last page number	1509144.cif
81908	2013-04-19	cif/ Adding structures of 1509144 via cif-deposit CGI script.	1509144.cif