Crystallography Open Database

Information card for entry 1512781

Preview

Coordinates	1512781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Co3 N10 O12 P2
Calculated formula	C12 H18 Co3 N10 O12 P2
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	6.9683 ± 0.0008 Å
b	14.1302 ± 0.0016 Å
c	22.426 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2208.1 ± 0.5 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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.	1512781.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512781.cif
90866	2013-11-20	cif/ Adding structures of 1512781 via cif-deposit CGI script.	1512781.cif