Crystallography Open Database

Information card for entry 1570906

Preview

Coordinates	1570906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cl4 N O4 P Pd
Calculated formula	C32 H28 Cl4 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	10.17 ± 0.002 Å
b	18.904 ± 0.004 Å
c	17.274 ± 0.003 Å
α	90°
β	90.09 ± 0.03°
γ	90°
Cell volume	3321 ± 1.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.62 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289665 (current)	2024-02-05	cif/ Adding structures of 1570906 via cif-deposit CGI script.	1570906.cif