Crystallography Open Database

Information card for entry 1512761

Preview

Coordinates	1512761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 N O P Pd S
Calculated formula	C31 H24 N O P Pd S
SMILES	c12ccccc1C=[N]1c3ccccc3S[Pd]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Palladium(II) complexes with salicylideneimine based tridentate ligand and triphenylphosphine: Synthesis, structure and catalytic activity in Suzuki-Miyaura cross coupling reactions
Authors of publication	Manoharan Muthu Tamizh; Benjamin F.T. Cooper; Charles L.B. Macdonald; Ramasamy Karvembu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	391 - 400
a	9.0411 ± 0.0015 Å
b	10.1247 ± 0.0017 Å
c	14.784 ± 0.002 Å
α	101.249 ± 0.002°
β	92.357 ± 0.002°
γ	96.148 ± 0.002°
Cell volume	1317 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512761.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512761.cif
90837	2013-11-19	cif/ Adding structures of 1512761 via cif-deposit CGI script.	1512761.cif