Crystallography Open Database

Information card for entry 7002395

Preview

Coordinates	7002395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N8 Pb S2
Calculated formula	C18 H22 N8 Pb S2
SMILES	c1(cccc[n]12)C=[N]3N=C(S[Pb]2314SC(=N[N]1=Cc1cccc[n]14)NCC)NCC
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	14.194 ± 0.002 Å
b	13.2451 ± 0.0017 Å
c	12.1918 ± 0.0019 Å
α	90°
β	109.195 ± 0.007°
γ	90°
Cell volume	2164.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7002395.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002395.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002395.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002395.cif