Crystallography Open Database

Information card for entry 7023681

Preview

Coordinates	7023681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Br2 N3 Zn
Calculated formula	C18 H15 Br2 N3 Zn
SMILES	[Zn]12(Br)(Br)[n]3ccccc3C(=[N]1c1c([NH2]2)cccc1)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	13.338 ± 0.002 Å
b	8.4796 ± 0.0013 Å
c	17.982 ± 0.003 Å
α	90°
β	109.479 ± 0.006°
γ	90°
Cell volume	1917.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179941 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023681.cif
90606	2013-11-18	cif/ Adding structures of 7023680, 7023681, 7023682, 7023683, 7023684 via cif-deposit CGI script.	7023681.cif