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Information card for entry 4350202
Preview
Coordinates | 4350202.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H122 N O9 Ru2 |
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Calculated formula | C75 H122 N O9 Ru2 |
SMILES | c12c(ccc(c1O[Ru]1(O2)(Oc2c(ccc(c2O1)C(C)(C)C)C(C)(C)C)[Ru]12(Oc3c(ccc(c3O1)C(C)(C)C)C(C)(C)C)Oc1c(ccc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.O=C(C)C |
Title of publication | Structural and spectroscopic characterization of a diruthenium o-dioxolene complex possessing a singly occupied molecular orbital delocalized over the entire molecule, [Ru2(3,6-DTBDiox)4]-. |
Authors of publication | Mochizuki, Katsunori; Kawamura, Takashi; Chang, Ho-Chol; Kitagawa, Susumu |
Journal of publication | Inorganic chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 10 |
Pages of publication | 3990 - 3997 |
a | 13.01 ± 0.0005 Å |
b | 13.01 ± 0.0005 Å |
c | 45.73 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7740.3 ± 0.5 Å3 |
Cell temperature | 223.2 K |
Number of distinct elements | 5 |
Space group number | 91 |
Hermann-Mauguin space group symbol | P 41 2 2 |
Hall space group symbol | P 4w 2c |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for all reflections included in the refinement | 0.0434 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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