Crystallography Open Database

Information card for entry 4309718

Preview

Coordinates	4309718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Cl F5 N7 O5 Pd
Calculated formula	C22 H23 Cl F5 N7 O5 Pd
Title of publication	New Palladium(II) and Platinum(II) Complexes with the Model Nucleobase 1-Methylcytosine: Antitumor Activity and Interactions with DNA
Authors of publication	José Ruiz; Natalia Cutillas; Consuelo Vicente; María Dolores Villa; Gregorio López; Julia Lorenzo; Francesc X. Avilés; Virtudes Moreno; Delia Bautista
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7365 - 7376
a	15.1602 ± 0.0017 Å
b	22.5242 ± 0.0017 Å
c	16.9832 ± 0.0013 Å
α	90°
β	110.724 ± 0.008°
γ	90°
Cell volume	5424 ± 0.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
179135 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/97.	4309718.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309718.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309718.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309718.cif