Crystallography Open Database

Information card for entry 7218945

Preview

Coordinates	7218945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Cl N2 O9 Zn
Calculated formula	C24 H28 Cl N2 O9 Zn
SMILES	[Zn]1234(Oc5ccccc5C=[N]3C[C@@H]3[O]1CCC3)Oc1ccccc1C=[N]4C[C@@H]1[O]2CCC1.Cl(=O)(=O)(=O)[O-].O.[Zn]1234(Oc5ccccc5C=[N]3C[C@H]3[O]1CCC3)Oc1ccccc1C=[N]4C[C@H]1[O]2CCC1.Cl(=O)(=O)(=O)[O-].O
Title of publication	Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study
Authors of publication	Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	110
Pages of publication	65044
a	23.365 ± 0.003 Å
b	12.746 ± 0.0018 Å
c	17.904 ± 0.002 Å
α	90°
β	101.513 ± 0.004°
γ	90°
Cell volume	5224.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1209
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.2023
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
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.	7218945.cif
127978	2014-11-28	cif/ Adding structures of 7218945, 7218946, 7218947 via cif-deposit CGI script.	7218945.cif