Crystallography Open Database

Information card for entry 1509142

Preview

Coordinates	1509142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 N12 Ni O2
Calculated formula	C18 H30 N12 Ni O2
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	9.1952 ± 0.0006 Å
b	10.0364 ± 0.0006 Å
c	13.0833 ± 0.0008 Å
α	78.24 ± 0.001°
β	75.027 ± 0.001°
γ	77.782 ± 0.001°
Cell volume	1125.69 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0375
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	1509142.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1509142.cif
82098	2013-04-22	cif/ Updating files of 1509142 Original log message: Wrong last page number	1509142.cif
81906	2013-04-19	cif/ Adding structures of 1509142 via cif-deposit CGI script.	1509142.cif