Information card for entry 7014204

Structure parameters

• Formula: C33 H28 Cl N7 O4 Ru S
• Calculated formula: C33 H28 Cl N7 O4 Ru S
• SMILES: [Ru]123(Sc4[n]3cccc4)([n]3ccccc3N=[N]1c1ccccc1)[n]1ccccc1N=[N]2c1ccccc1.Cl(=O)(=O)(=O)[O-].c1ccccc1
• Title of publication: Synthesis, structure, redox, NLO and DNA interaction aspects of [((L'-'")2RuII)3(mu3-L)]3+ and [(L')2RuII(NC5H4S-)]+[L3- = 1,3,5-triazine-2,4,6-trithiolato, L'-'" = arylazopyridine].
• Authors of publication: Kar, Sanjib; Pradhan, Biswajit; Sinha, Rajeev Kumar; Kundu, Tapanendu; Kodgire, Prashant; Rao, K. Krishnamurthy; Puranik, Vedavati G.; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1752 - 1760
• a: 10.1036 ± 0.0017 Å
• b: 30.68 ± 0.005 Å
• c: 10.7294 ± 0.0018 Å
• α: 90°
• β: 94.295 ± 0.003°
• γ: 90°
• Cell volume: 3316.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No