Crystallography Open Database

Information card for entry 7064178

Preview

Coordinates	7064178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 N3 O4 Ru
Calculated formula	C26 H27 N3 O4 Ru
Title of publication	Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands
Authors of publication	Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	17.2442 ± 0.0001 Å
b	12.159 ± 0.0001 Å
c	22.0006 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4612.91 ± 0.06 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7064178.html