Crystallography Open Database

Information card for entry 1570902

Preview

Coordinates	1570902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Cl F3 N O4 P Pd
Calculated formula	C34 H30 Cl F3 N O4 P Pd
SMILES	[Pd]1234(C#[N]C5CCCCC5)([P](c5ccc(F)cc5)(c5ccc(F)cc5)c5ccc(F)cc5)[c]56cccc[c]26[cH]3[cH]4[cH]15.Cl(=O)(=O)(=O)[O-]
Title of publication	Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.
Authors of publication	Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2024
Journal volume	29
Journal issue	2
Pages of publication	345
a	15.295 ± 0.003 Å
b	10.691 ± 0.002 Å
c	19.12 ± 0.004 Å
α	90°
β	99.74 ± 0.03°
γ	90°
Cell volume	3081.4 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0273
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.62 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289661 (current)	2024-02-05	cif/ Adding structures of 1570902 via cif-deposit CGI script.	1570902.cif