Crystallography Open Database

Information card for entry 1513038

Preview

Coordinates	1513038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H75 Cl16 N8 O8 Zn4
Calculated formula	C32 H75 Cl16 N8 O8 Zn4
Title of publication	Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexesexperimental vs. theoretical study
Authors of publication	Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael
Journal of publication	Polyhedron
Year of publication	2011
Journal volume	30
Pages of publication	2564
a	22.703 ± 0.003 Å
b	6.9191 ± 0.0012 Å
c	18.637 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2927.6 ± 0.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2003
Weighted residual factors for all reflections included in the refinement	0.2058
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513038.cif
91876	2013-12-18	cif/1/51/30/ Fixing bibliographies for CIFs 1513033-1513041: moving author contacts from '_chemical_name_systematic' field to appropriate tags. Adding DOIs where missing.	1513038.cif
91366	2013-12-13	cif/ Adding structures of 1513038 via cif-deposit CGI script.	1513038.cif