Crystallography Open Database

Information card for entry 4328445

Preview

Coordinates	4328445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H51 Cd2 Cl4 N18 O17.5
Calculated formula	C72 H48 Cd2 Cl4 N18 O17.5
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	10.965 ± 0.0015 Å
b	15.101 ± 0.002 Å
c	22.596 ± 0.003 Å
α	91.733 ± 0.002°
β	96.585 ± 0.003°
γ	106.162 ± 0.002°
Cell volume	3562.3 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2011
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	4328445.cif
77411	2013-03-26	cif/ Adding structures of 4328445 via cif-deposit CGI script.	4328445.cif