Crystallography Open Database

Information card for entry 7023439

Preview

Coordinates	7023439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Cl2 N4 O Zn
Calculated formula	C25 H20 Cl2 N4 O Zn
SMILES	[Zn]1(Cl)(Cl)[n]2ccccc2C2=[N]1c1c(N(C2(OC)c2ncccc2)c2ccccc2)cccc1
Title of publication	Mono- and di-nuclear photoluminescent complexes of zinc(II), cadmium(II) and mercury(II) of a chiral diimine ligand.
Authors of publication	Kundu, Suman; Maity, Suvendu; Saha Sardar, Pinki; Ghosh, Sanjib; Ghosh, Prasanta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	13026 - 13035
a	30.49 ± 0.012 Å
b	8.823 ± 0.003 Å
c	21.293 ± 0.008 Å
α	90°
β	127.172 ± 0.014°
γ	90°
Cell volume	4564 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179939 (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 7/02/34.	7023439.cif
90534	2013-11-18	cif/ Adding structures of 7023439, 7023440 via cif-deposit CGI script.	7023439.cif