Crystallography Open Database

Information card for entry 7064174

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Coordinates	7064174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N3 O4 Ru
Calculated formula	C27 H29 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	17.2384 ± 0.0001 Å
b	14.0947 ± 0.0001 Å
c	9.534 ± 0.0001 Å
α	90°
β	93.494 ± 0.001°
γ	90°
Cell volume	2312.17 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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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