Information card for entry 4122032

Structure parameters

• Formula: C30 H25 Cl6 N6 O0.5 Pd2 Ru
• Calculated formula: C30 H25 Cl6 N6 O0.5 Pd2 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Pd]1(Cl)(Cl)[Cl][Pd]([Cl]1)(Cl)Cl.O
• Title of publication: Six-fold oxygen-coordinated triplet (S = 1) palladium(II) moieties templated by tris(bipyridine)ruthenium(II) ions.
• Authors of publication: Pointillart, Fabrice; Train, Cyrille; Villain, Françoise; Moulin, Christophe Cartier Dit; Gredin, Patrick; Chamoreau, Lise-Marie; Gruselle, Michel; Aullon, Gabriel; Alvarez, Santiago; Verdaguer, Michel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Journal issue: 5
• Pages of publication: 1327 - 1334
• a: 16.302 ± 0.003 Å
• b: 16.465 ± 0.003 Å
• c: 16.551 ± 0.002 Å
• α: 101.751 ± 0.011°
• β: 111.493 ± 0.009°
• γ: 113.567 ± 0.011°
• Cell volume: 3454.8 ± 1.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.1326
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4109052
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No