Crystallography Open Database

Information card for entry 4083518

Preview

Coordinates	4083518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H68 F6 N3 P3 Ru2
Calculated formula	C27 H47 F6 N3 P3 Ru2
Title of publication	Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands
Authors of publication	Namura, Kyo; Suzuki, Hiroharu
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	12
Pages of publication	2968
a	8.4781 ± 0.0004 Å
b	11.4395 ± 0.0006 Å
c	20.3177 ± 0.0009 Å
α	84.837 ± 0.0015°
β	81.124 ± 0.0013°
γ	77.203 ± 0.0016°
Cell volume	1895.37 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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