Crystallography Open Database

Information card for entry 1511761

Preview

Coordinates	1511761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 Fe N4 O12
Calculated formula	C10 H14 Fe N4 O12
Title of publication	Crystal Structure, Raman and 57Fe Mössbauer Spectra of the FeII Complex of Iso-orotic Acid
Authors of publication	Enrique J. Baran; Roberto C. Mercader; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Journal of publication	Polyhedron
Year of publication	1996
Journal volume	15
Pages of publication	1717 - 1721
a	5.036 ± 0.004 Å
b	9.626 ± 0.01 Å
c	8.128 ± 0.004 Å
α	74.65 ± 0.05°
β	88.96 ± 0.04°
γ	84.65 ± 0.09°
Cell volume	378.3 ± 0.5 Å³
Cell temperature	292 ± 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	0.095
Residual factor for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.58
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.	1511761.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1511761.cif
85280	2013-05-03	cif/ Adding structures of 1511761 via cif-deposit CGI script.	1511761.cif