Crystallography Open Database

Information card for entry 1570905

Preview

Coordinates	1570905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cl F3 N O4 P Pd
Calculated formula	C32 H28 Cl F3 N O4 P Pd
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	15.006 ± 0.003 Å
b	10.701 ± 0.002 Å
c	18.944 ± 0.004 Å
α	90°
β	95.65 ± 0.03°
γ	90°
Cell volume	3027.2 ± 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	0.0267
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
289664 (current)	2024-02-05	cif/ Adding structures of 1570905 via cif-deposit CGI script.	1570905.cif