Crystallography Open Database

Information card for entry 7127113

Preview

Coordinates	7127113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H144 F24 N16 O30 Pd4 S8
Calculated formula	C54 H62 F12 N8 O14 Pd2 S4
Title of publication	Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.
Authors of publication	O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	79
Pages of publication	11799 - 11802
a	11.208 ± 0.0011 Å
b	21.44 ± 0.002 Å
c	29.333 ± 0.003 Å
α	90°
β	93.016 ± 0.003°
γ	90°
Cell volume	7038.9 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0796
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.2143
Weighted residual factors for all reflections included in the refinement	0.2287
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260642 (current)	2021-01-07	cif/ Updating files of 7127112, 7127113, 7127114 Original log message: Adding full bibliography for 7127112--7127114.cif.	7127113.cif
255634	2020-08-26	cif/ Adding structures of 7127112, 7127113, 7127114 via cif-deposit CGI script.	7127113.cif