Crystallography Open Database

Information card for entry 1513039

Preview

Coordinates	1513039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Cl4 N2 O3 Zn
Calculated formula	C12 H24 Cl4 N2 O3 Zn
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	8.376 ± 0.003 Å
b	8.495 ± 0.004 Å
c	13.243 ± 0.006 Å
α	99.284 ± 0.016°
β	90.049 ± 0.016°
γ	97.645 ± 0.017°
Cell volume	921.4 ± 0.7 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.1072
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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.	1513039.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.	1513039.cif
91367	2013-12-13	cif/ Adding structures of 1513039 via cif-deposit CGI script.	1513039.cif