Crystallography Open Database

Information card for entry 7023683

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Coordinates	7023683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Cl2 Fe N3 O
Calculated formula	C25 H20 Cl2 Fe N3 O
SMILES	[Fe]123(Cl)(Cl)Oc4ccccc4C=[N]1c1ccccc1[NH]2C(c1cccc[n]31)c1ccccc1
Title of publication	Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.
Authors of publication	Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	42
Pages of publication	15028 - 15042
a	10.1502 ± 0.0012 Å
b	17.429 ± 0.003 Å
c	14.446 ± 0.003 Å
α	90°
β	91.454 ± 0.015°
γ	90°
Cell volume	2554.8 ± 0.8 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	0.0665
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7023683.cif
90606	2013-11-18	cif/ Adding structures of 7023680, 7023681, 7023682, 7023683, 7023684 via cif-deposit CGI script.	7023683.cif