Crystallography Open Database

Information card for entry 7064177

Preview

Coordinates	7064177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H53 N6 O8 Ru2
Calculated formula	C46 H53 N6 O8 Ru2
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	13.3048 ± 0.0001 Å
b	13.5619 ± 0.0002 Å
c	12.1496 ± 0.0001 Å
α	90°
β	96.67 ± 0.001°
γ	90°
Cell volume	2177.42 ± 0.04 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7064177.html