Crystallography Open Database

Information card for entry 1515298

Preview

Coordinates	1515298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 N4 O P Pd S
Calculated formula	C31 H33 N4 O P Pd S
SMILES	c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd]12[N](=Cc3c(O1)cc(cc3)N(CC)CC)N=C(NC)S2
Title of publication	DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.
Authors of publication	Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.
Journal of publication	Metallomics : integrated biometal science
Year of publication	2012
Journal volume	4
Journal issue	1
Pages of publication	101 - 113
a	9.659 ± 0.0002 Å
b	11.2079 ± 0.0003 Å
c	27.4126 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2967.61 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1336
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	0.859
Diffraction radiation probe	x-ray
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
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.	1515298.cif
111102	2014-04-20	cif/ Adding structures of 1515298, 1515299, 1515300 via cif-deposit CGI script.	1515298.cif