Information card for entry 8102266

Structure parameters

• Formula: C39 H34 Cl N6 Ru
• Calculated formula: C39 H34 Cl N6 Ru
• SMILES: [Ru]12(Cl)([N](=CN1c1ccccc1)c1ccccc1)([N](=CN2c1ccccc1)c1ccccc1)[N](=CNc1ccccc1)c1ccccc1
• Title of publication: Crystal structure of chlorido-bis(N,N'-diphenyl-formamidinato)-N,N'-diphenylformamidinoruthenium(III), RuCl(PhNCHNPh)2(PhNCHNHPh)
• Authors of publication: Santiago Herrero; Reyes Jiménez-Aparicio; M. Rosario Torres; Francisco A. Urbanos
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 219
• a: 9.9316 ± 0.0007 Å
• b: 10.27 ± 0.0007 Å
• c: 18.2178 ± 0.0014 Å
• α: 75.16 ± 0.001°
• β: 77.183 ± 0.001°
• γ: 83.245 ± 0.002°
• Cell volume: 1747.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No