Crystallography Open Database

Information card for entry 7002393

Preview

Coordinates	7002393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cu2 N8 O4 S3
Calculated formula	C18 H22 Cu2 N8 O4 S3
Title of publication	Coordinative trends of a tridentate thiosemicarbazone ligand: synthesis, characterization, luminescence studies and desulfurization processes
Authors of publication	Pedrido, Rosa; Romero, María J.; Bermejo, Manuel R.; Martínez-Calvo, Miguel; González-Noya, Ana M.; Zaragoza, Guillermo
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	39
Pages of publication	8329 - 8340
a	20.8403 ± 0.0016 Å
b	20.8403 ± 0.0016 Å
c	29.327 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	11031 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation probe	x-ray
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
179721 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/23.	7002393.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002393.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002393.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002393.cif