Crystallography Open Database

Information card for entry 1572927

Preview

Coordinates	1572927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.91 H86.4 Cl4.87 O P4 Pd4
Calculated formula	C86.911 H86.412 Cl4.872 O P4 Pd4
Title of publication	The ubiquitous P(o-tol)3 ligand promotes formation of catalytically-active higher order palladacyclic clusters
Authors of publication	Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.
Journal of publication	Chemical Science
Year of publication	2024
a	13.9903 ± 0.0002 Å
b	15.1118 ± 0.0002 Å
c	19.6632 ± 0.0003 Å
α	82.3154 ± 0.0014°
β	83.154 ± 0.0013°
γ	82.3315 ± 0.0013°
Cell volume	4061.19 ± 0.1 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295596 (current)	2024-10-24	cif/ Adding structures of 1572926, 1572927, 1572928, 1572929 via cif-deposit CGI script.	1572927.cif