Crystallography Open Database

Information card for entry 4331078

Preview

Coordinates	4331078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Cu Hg N8 O2
Calculated formula	C17 H16 Cu Hg N8 O2
Title of publication	Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a "Metalloligand" [CuL] (H2L =N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations
Authors of publication	Lakshmi Kanta Das; Ramakant M. Kadam; Antonio Bauzá; Antonio Frontera; Ashutosh Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12407 - 12418
a	14.1481 ± 0.0006 Å
b	14.8246 ± 0.0006 Å
c	9.8662 ± 0.0004 Å
α	90°
β	108.243 ± 0.001°
γ	90°
Cell volume	1965.33 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0486
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179413 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/10.	4331078.cif
80539	2013-04-07	cif/ Adding structures of 4331078 via cif-deposit CGI script.	4331078.cif