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Information card for entry 7029978
Preview
Coordinates | 7029978.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 Cl2 N6 O4 Ru2 |
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Calculated formula | C34 H30 Cl2 N6 O4 Ru2 |
SMILES | c1cccc2c3[n]4c(c5cccc[n]5[Ru]54([n]12)([O]=C(C=C(O5)C)C)Cl)c1c2cccc[n]2[Ru]24([n]1c3c1cccc[n]21)([O]=C(C=C(O4)C)C)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 | 12.2324 ± 0.0003 Å |
b | 8.4934 ± 0.0002 Å |
c | 15.8447 ± 0.0005 Å |
α | 90° |
β | 94.136 ± 0.003° |
γ | 90° |
Cell volume | 1641.89 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0628 |
Weighted residual factors for all reflections included in the refinement | 0.0648 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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