Crystallography Open Database

Information card for entry 4328444

Preview

Coordinates	4328444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H52.5 Cl4 N18 O18.25 Zn2
Calculated formula	C72 H52 Cl4 N18 O18.25 Zn2
Title of publication	Triple-Stranded Helicates of Zinc(II) and Cadmium(II) Involving a New Redox-Active Multiring Nitrogenous Heterocyclic Ligand: Synthesis, Structure, and Electrochemical and Photophysical Properties
Authors of publication	Nabanita Kundu; Sk Md Towsif Abtab; Sanchita Kundu; Akira Endo; Simon J. Teat; Muktimoy Chaudhury
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2652 - 2661
a	23.725 ± 0.004 Å
b	13.5241 ± 0.0019 Å
c	23.99 ± 0.004 Å
α	90°
β	109.466 ± 0.003°
γ	90°
Cell volume	7257 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0714
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4328444.cif
77410	2013-03-26	cif/ Adding structures of 4328444 via cif-deposit CGI script.	4328444.cif