Crystallography Open Database

Information card for entry 1513036

Preview

Coordinates	1513036.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(8-aminoquinolinium) tetrachlorozincate(II)
Formula	C15 H13 Cl4 N3 Zn
Calculated formula	C15 H13 Cl4 N3 Zn
SMILES	[Zn](Cl)(Cl)([Cl-])[Cl-].n1c(cccc1c1[nH+]cccc1)c1[nH+]cccc1
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	7.024 ± 0.004 Å
b	13.676 ± 0.007 Å
c	9.398 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	902.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	44
Hermann-Mauguin space group symbol	I m m 2
Hall space group symbol	I 2 -2
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	1513036.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.	1513036.cif
91364	2013-12-13	cif/ Adding structures of 1513036 via cif-deposit CGI script.	1513036.cif