Information card for entry 4303405

Structure parameters

• Formula: C49 H51 Cl N7 O5 Ru
• Calculated formula: C49 H51 Cl N7 O5 Ru
• SMILES: [Ru]123(Oc4c(cc(cc4N1c1ccccc1)C(C)(C)C)C(C)(C)C)([n]1ccccc1N=[N]2c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1.Cl(=O)(=O)(=O)[O-].c1(ccccc1)C
• Title of publication: Sensitive Valence Structures of [(pap)2Ru(Q)]n (n= +2, +1, 0, -1, -2) with Two Different Redox Noninnocent Ligands, Q = 3,5-Di-tert-butyl-N-aryl-1,2-benzoquinonemonoimine and pap = 2-Phenylazopyridine
• Authors of publication: Dipanwita Das; Tapan Kumar Mondal; Shaikh M. Mobin; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9800 - 9810
• a: 11.744 ± 0.008 Å
• b: 19.608 ± 0.01 Å
• c: 19.557 ± 0.009 Å
• α: 90°
• β: 102.47 ± 0.05°
• γ: 90°
• Cell volume: 4397 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No