Crystallography Open Database

Information card for entry 7127112

Preview

Coordinates	7127112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N4 O2
Calculated formula	C34 H18 N4
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	3.7895 ± 0.0002 Å
b	10.0133 ± 0.0005 Å
c	18.8245 ± 0.0009 Å
α	84.216 ± 0.004°
β	84.817 ± 0.004°
γ	79.331 ± 0.004°
Cell volume	696.5 ± 0.06 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.227
Weighted residual factors for all reflections included in the refinement	0.2339
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
260642 (current)	2021-01-07	cif/ Updating files of 7127112, 7127113, 7127114 Original log message: Adding full bibliography for 7127112--7127114.cif.	7127112.cif
255634	2020-08-26	cif/ Adding structures of 7127112, 7127113, 7127114 via cif-deposit CGI script.	7127112.cif