Crystallography Open Database

Information card for entry 7714840

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Coordinates	7714840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Cl2 N2 P2 Ru
Calculated formula	C32 H50 Cl2 N2 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	19.0383 ± 0.001 Å
b	9.7315 ± 0.0005 Å
c	18.7775 ± 0.0009 Å
α	90°
β	104.432 ± 0.002°
γ	90°
Cell volume	3369.1 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.0509
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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