Crystallography Open Database

Information card for entry 1512780

Preview

Coordinates	1512780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Co3 N15 O4 P
Calculated formula	C18 H12 Co3 N15 O4 P
Title of publication	Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system
Authors of publication	Kari Darling; Jon Zubieta
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	512 - 518
a	22.202 ± 0.002 Å
b	22.202 ± 0.002 Å
c	4.3536 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1858.5 ± 0.5 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1512780.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512780.cif
90865	2013-11-20	cif/ Adding structures of 1512780 via cif-deposit CGI script.	1512780.cif