Crystallography Open Database

Information card for entry 1512760

Preview

Coordinates	1512760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H26 N O P Pd S
Calculated formula	C35 H26 N O P Pd S
SMILES	c1cc2ccc3O[Pd]4([N](=Cc3c2cc1)c1ccccc1S4)[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	10.7831 ± 0.0012 Å
b	29.07 ± 0.003 Å
c	9.0339 ± 0.001 Å
α	90°
β	104.224 ± 0.001°
γ	90°
Cell volume	2745 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0269
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1512760.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512760.cif
90836	2013-11-19	cif/ Adding structures of 1512760 via cif-deposit CGI script.	1512760.cif