Crystallography Open Database

Information card for entry 7031847

Preview

Coordinates	7031847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 K N6 O11 Pd2
Calculated formula	C24 H25 K N6 O11 Pd2
SMILES	[Pd]123OC(=O)c4ccccc4N2C(=O)C(=O)N3CCC[NH2]1.[Pd]123[NH2]CCCN3C(=O)C(=O)N2c2ccccc2C(=O)O1.[K+].[OH3+].O.O
Title of publication	Synthesis of novel palladium(ii) complexes with oxalic acid diamide derivatives and their interaction with nucleosides and proteins. Structural, solution, and computational study.
Authors of publication	Mrkalić, Emina M; Jelić, Ratomir M; Klisurić, Olivera R; Matović, Zoran D
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	40
Pages of publication	15126 - 15137
a	7.873 ± 0.005 Å
b	13.741 ± 0.005 Å
c	15.723 ± 0.005 Å
α	71.249 ± 0.005°
β	77.923 ± 0.005°
γ	76.403 ± 0.005°
Cell volume	1548.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
180024 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/18.	7031847.cif
124849	2014-10-06	cif/ Updating files of 7031847 Original log message: Adding full bibliography for 7031847.cif.	7031847.cif
120986	2014-07-31	cif/ Adding structures of 7031847 via cif-deposit CGI script.	7031847.cif