Crystallography Open Database

Information card for entry 4334072

Preview

Coordinates	4334072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H36 F12 N10 O18 S4 Zn2
Calculated formula	C35 H36 F12 N10 O18 S4 Zn2
Title of publication	Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes
Authors of publication	Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2716 - 2728
a	11.7789 ± 0.0006 Å
b	14.4891 ± 0.0007 Å
c	17.0456 ± 0.0009 Å
α	92.881 ± 0.003°
β	108.955 ± 0.003°
γ	98.791 ± 0.003°
Cell volume	2703.5 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1287
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2361
Weighted residual factors for all reflections included in the refinement	0.2511
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334072.cif
99882	2014-02-03	cif/ Adding structures of 4334072 via cif-deposit CGI script.	4334072.cif