Crystallography Open Database

Information card for entry 2233540

Preview

Coordinates	2233540.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate
Formula	C18.5 H25 Cl3 N2 Pd2 Te2
Calculated formula	C18.5 H25 Cl3 N2 Pd2 Te2
SMILES	C1[N](C)([Pd]2(Cl)[Te](c3ccccc13)[Pd]1([N](Cc3c(cccc3)[Te]21)(C)C)Cl)C.ClCCl
Title of publication	Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate
Authors of publication	Butcher, Ray J.; Chakravorty, Tapash; Singh, Harkesh B.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	2
Pages of publication	m141 - m142
a	14.035 ± 0.002 Å
b	14.842 ± 0.002 Å
c	12.3188 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2566.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
197043 (current)	2017-05-30	cif/2 Fixing some Z values and formulae	2233540.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2233540.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2233540.cif
38336	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2233540 via cif-deposit CGI script.	2233540.cif