Crystallography Open Database

Information card for entry 7714837

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Coordinates	7714837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cl2 P2 Ru
Calculated formula	C28 H40 Cl2 P2 Ru
Title of publication	Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.
Authors of publication	Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1862 - 1869
a	10.785 ± 0.0006 Å
b	18.8928 ± 0.0012 Å
c	27.6382 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5631.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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