Crystallography Open Database

Information card for entry 4303586

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Structure parameters

Formula	C12 H36 Ru6 S12
Calculated formula	C12 H36 Ru6 S12
SMILES	C[S]1[Ru]23[S](C)[Ru]4([S](C)[Ru]5([S](C)[Ru]6([S](C)[Ru]7([S](C)[Ru]1([S]2C)[S]7C)[S]6C)[S]5C)[S]4C)[S]3C
Title of publication	Catalytic Alkenylation of Phenylpyridines with Terminal Alkynes by a [12]Metallacrown-6 Ruthenium(II) Compound
Authors of publication	Ming-Hua Xie; Miao Wang; Chuan-De Wu
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10477 - 10479
a	17.815 ± 0.003 Å
b	17.815 ± 0.003 Å
c	8.7859 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	2414.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0202
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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