Crystallography Open Database

Information card for entry 4340189

Preview

Coordinates	4340189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl N2 O2 Pd S4
Calculated formula	C24 H27 Cl N2 O2 Pd S4
Title of publication	Thioamide pincer ligands with charge versatility.
Authors of publication	Begum, Rowshan Ara; Powell, Douglas; Bowman-James, Kristin
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	964 - 966
a	14.774 ± 0.004 Å
b	9.026 ± 0.002 Å
c	20.47 ± 0.006 Å
α	90°
β	90.554 ± 0.007°
γ	90°
Cell volume	2729.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0255
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179504 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01.	4340189.cif
118666	2014-06-30	cif/ Adding structures of 4340189, 4340190, 4340191 via cif-deposit CGI script.	4340189.cif