Crystallography Open Database

Information card for entry 4082293

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Structure parameters

Formula	C28 H62 Cl N6 P3 Ru
Calculated formula	C28 H62 Cl N6 P3 Ru
SMILES	[Ru]123([P](NCC[N]3(CCN[P]1(C(C)C)C(C)C)CCN2P(C(C)C)C(C)C)(C(C)C)C(C)C)[N]#CC.[Cl-].N#CC
Title of publication	Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand
Authors of publication	Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	2
Pages of publication	578
a	10.2442 ± 0.0003 Å
b	18.5567 ± 0.0004 Å
c	19.749 ± 0.0005 Å
α	90°
β	104.199 ± 0.001°
γ	90°
Cell volume	3639.56 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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