Crystallography Open Database

Information card for entry 1570909

Preview

Coordinates	1570909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Cl N O4 P Pd
Calculated formula	C34 H33 Cl N O4 P Pd
SMILES	[O-]Cl(=O)(=O)=O.[Pd]1234(C#[N]C5CCCCC5)([c]56[c]2(cccc5)[cH]3[cH]4[cH]16)[P](c1ccccc1)(c1ccccc1)c1ccccc1
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	15.157 ± 0.003 Å
b	13.336 ± 0.003 Å
c	17.127 ± 0.003 Å
α	90°
β	112.74 ± 0.03°
γ	90°
Cell volume	3192.8 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.041
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
289668 (current)	2024-02-05	cif/ Adding structures of 1570909 via cif-deposit CGI script.	1570909.cif