Crystallography Open Database

Information card for entry 7215121

Preview

Coordinates	7215121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 K Li2 Mo N O11
Calculated formula	C6 H10 K Li2 Mo N O11
SMILES	C1C(=O)O[Mo]2([N]1(CC(=O)O2)CC(=O)[O-])(=O)(=O)=O.[Li+].[Li+].O.O.[K+]
Title of publication	Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.
Authors of publication	Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2012
Journal volume	14
Journal issue	44
Pages of publication	15579 - 15592
a	7.9807 ± 0.001 Å
b	8.5886 ± 0.0011 Å
c	20.424 ± 0.003 Å
α	90°
β	96.724 ± 0.004°
γ	90°
Cell volume	1390.3 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7215121.cif
111129	2014-04-20	cif/ Adding structures of 7215121, 7215122, 7215123 via cif-deposit CGI script.	7215121.cif