Crystallography Open Database

Information card for entry 7064172

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Coordinates	7064172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cl2 N4 O4 Ru
Calculated formula	C28 H28 Cl2 N4 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	8.3578 ± 0.0001 Å
b	13.6138 ± 0.0003 Å
c	14.4275 ± 0.0002 Å
α	108.467 ± 0.002°
β	104.556 ± 0.001°
γ	107.864 ± 0.002°
Cell volume	1367.11 ± 0.05 Å³
Cell temperature	150 ± 0.02 K
Ambient diffraction temperature	150 ± 0.02 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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

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