Crystallography Open Database

Information card for entry 7026634

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Structure parameters

Formula	C11 H11 I4 N2 S2
Calculated formula	C11 H11 I4 N2 S2
Title of publication	Metal coordination and in situ S-C bond cleavage of the bis(2-pyridylthio)methane ligand.
Authors of publication	Belén Lago, Ana; Amoedo, Almudena; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	42
Pages of publication	10076 - 10087
a	9.4435 ± 0.0015 Å
b	9.6542 ± 0.0016 Å
c	11.7607 ± 0.0019 Å
α	95.607 ± 0.003°
β	100.683 ± 0.003°
γ	111.932 ± 0.003°
Cell volume	960.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026634.cif
179972	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/66.	7026634.cif
93550	2014-01-13	cif/ Adding structures of 7026634, 7026635, 7026636, 7026637, 7026638, 7026639, 7026640 via cif-deposit CGI script.	7026634.cif