Crystallography Open Database

Information card for entry 7218954

Preview

Coordinates	7218954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H58 Cl2 N8 O12 Zn3
Calculated formula	C72 H58 Cl2 N8 O12 Zn3
SMILES	c1ccc2c3c(ccc2)[N]2=Cc4cc(cc(c4[O]4[Zn]562([n]13)[N](=Cc1c([O]6[Zn]24[O]3c4c(C=[N]6c7cccc8ccc[n](c78)[Zn]7836[N](=Cc3c([O]28)c(cc(c3)C)C)c2cccc3ccc[n]7c23)cc(cc4C)C)c(cc(c1)C)C)c1cccc2ccc[n]5c12)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Photophysical Property vs Medium: Mononuclear, Dinuclear and Trinuclear Zn(II) Complexes
Authors of publication	Hens, Amar; Rajak, Kajal Krishna
Journal of publication	RSC Adv.
Year of publication	2014
a	24.9663 ± 0.0009 Å
b	20.6291 ± 0.0007 Å
c	16.9291 ± 0.0006 Å
α	90°
β	111.647 ± 0.002°
γ	90°
Cell volume	8104.1 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1094
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218954.cif
128001	2014-11-29	cif/ Adding structures of 7218953, 7218954 via cif-deposit CGI script.	7218954.cif