Crystallography Open Database

Information card for entry 7064168

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Coordinates	7064168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 N3 O5 Ru
Calculated formula	C20 H25 N3 O5 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	7.823 ± 0.0001 Å
b	15.2957 ± 0.0002 Å
c	16.3651 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1958.22 ± 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	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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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