Crystallography Open Database

Information card for entry 4336413

Preview

Coordinates	4336413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H29 Cl2 Fe N4 O8
Calculated formula	C18 H19 Cl2 Fe N4 O8
Title of publication	Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution
Authors of publication	Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11778 - 11786
a	8.8332 ± 0.0002 Å
b	9.9439 ± 0.0002 Å
c	13.8786 ± 0.0003 Å
α	78.2203 ± 0.0008°
β	76.8323 ± 0.0008°
γ	84.2275 ± 0.001°
Cell volume	1160.13 ± 0.04 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179467 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/64.	4336413.cif
102404	2014-02-20	cif/ Adding structures of 4336413 via cif-deposit CGI script.	4336413.cif