Crystallography Open Database

Information card for entry 7014470

Preview

Coordinates	7014470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Cl2 Fe N6 O4.5
Calculated formula	C24 H18 Cl2 Fe N6 O4.5
Title of publication	Unsymmetrical diimine complexes of iron(II) and manganese(II): synthesis, structure and photoluminescence of an isomer.
Authors of publication	Roy, Amit Saha; Biswas, Manas Kumar; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	1
Pages of publication	146 - 155
a	12.5743 ± 0.0009 Å
b	14.0029 ± 0.0006 Å
c	15.1688 ± 0.001 Å
α	90°
β	113.043 ± 0.004°
γ	90°
Cell volume	2457.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7014470.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014470.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014470.cif
14769	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014470, 7014471 via cif-deposit CGI script.	7014470.cif