Crystallography Open Database

Information card for entry 1573308

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Coordinates	1573308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H55 Cl N2 O2 P2 Ru
Calculated formula	C39 H55 Cl N2 O2 P2 Ru
Title of publication	Rapid and selective formic acid dehydrogenation catalysis by molecular ruthenium hydrides supported by rigid PCcarbeneP pincer ligands†
Authors of publication	Piers, Warren; Donnelly, Laurie; Gelfand, Benjamin Sidney
Journal of publication	Catalysis Science & Technology
Year of publication	2024
a	10.6687 ± 0.0007 Å
b	15.5241 ± 0.001 Å
c	22.9366 ± 0.0015 Å
α	90°
β	92.854 ± 0.001°
γ	90°
Cell volume	3794.1 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.0542
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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