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Information card for entry 7029979
Preview
Coordinates | 7029979.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H38 Cl2 N6 O4 Ru2 |
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Calculated formula | C38 H38 Cl2 N6 O4 Ru2 |
SMILES | [n]12[Ru]34([n]5ccccc5c2c2c5cccc[n]5[Ru]56([n]2c(c1c1cccc[n]41)c1cccc[n]51)([O]=C(CC)C=C(O6)CC)Cl)([O]=C(C=C(O3)CC)CC)Cl |
Title of publication | Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(μ-tppz)Ru(L)Cl]+, L = β-diketonato ligands, tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine. |
Authors of publication | Kundu, Tanaya; Schweinfurth, David; Sarkar, Biprajit; Mondal, Tapan Kumar; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 43 |
Pages of publication | 13429 - 13440 |
a | 8.8953 ± 0.0002 Å |
b | 9.2556 ± 0.0002 Å |
c | 11.3444 ± 0.0003 Å |
α | 101.726 ± 0.002° |
β | 99.723 ± 0.002° |
γ | 98.659 ± 0.002° |
Cell volume | 884.68 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0294 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections included in the refinement | 0.0601 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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