Crystallography Open Database

Information card for entry 7052697

Preview

Coordinates	7052697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C255.85 H119.85 Cl4.3 N13.85 O8 Zn2
Calculated formula	C255.846 H119.846 Cl4.308 N13.846 O8 Zn2
Title of publication	Magnetic properties and stability of negatively charged doubly bonded C1202− dimers
Authors of publication	Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	9
Pages of publication	1829
a	13.8523 ± 0.0012 Å
b	24.2553 ± 0.0011 Å
c	25.6268 ± 0.0013 Å
α	90°
β	100.963 ± 0.006°
γ	90°
Cell volume	8453.3 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052697.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052697.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052697.cif
27481	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7052697 via cif-deposit CGI script.	7052697.cif