Information card for entry 7026644

Structure parameters

• Formula: C46 H42 Cl2 F12 P2 Ru2 Se4
• Calculated formula: C46 H42 Cl2 F12 P2 Ru2 Se4
• SMILES: C1c2c(cc3C[Se](c4ccccc4)[Ru]45678([cH]9[cH]8[cH]7[cH]6[cH]5[cH]49)(Cl)[Se](Cc3c2)c2ccccc2)C[Se](c2ccccc2)[Ru]23456([cH]7[cH]2[cH]3[cH]4[cH]6[cH]57)(Cl)[Se]1c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tetradentate selenium ligand as a building block for homodinuclear complexes of Pd(II) and Ru(II) having seven membered rings or bis-pincer coordination mode: high catalytic activity of Pd-complexes for Heck reaction.
• Authors of publication: Das, Dipanwita; Singh, Pradhumn; Singh, Monika; Singh, Ajai Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10876 - 10882
• a: 28.964 ± 0.008 Å
• b: 11.27 ± 0.003 Å
• c: 19.155 ± 0.006 Å
• α: 90°
• β: 115.273 ± 0.005°
• γ: 90°
• Cell volume: 5654 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No