Crystallography Open Database

Information card for entry 4083527

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Coordinates	4083527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H160 F12 N6 O3 P6 Ru4
Calculated formula	C81 H150 F12 N6 O3 P6 Ru4
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	11.317 ± 0.0006 Å
b	19.7994 ± 0.001 Å
c	21.3448 ± 0.001 Å
α	75.866 ± 0.0013°
β	81.407 ± 0.0014°
γ	87.943 ± 0.0015°
Cell volume	4585.9 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1946
Weighted residual factors for all reflections included in the refinement	0.229
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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