Crystallography Open Database

Information card for entry 7127114

Preview

Coordinates	7127114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C552 H418 F72 N24 O72 P24 Pd12 S24
Calculated formula	C544 H418 F48 N24 O48 P24 Pd12 S16
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	18.6651 ± 0.0016 Å
b	51.156 ± 0.004 Å
c	74.909 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	71525 ± 10 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7127114.cif
255634	2020-08-26	cif/ Adding structures of 7127112, 7127113, 7127114 via cif-deposit CGI script.	7127114.cif