Information card for entry 4340878

Structure parameters

• Formula: C55 H43 Cl N8 O4 Ru
• Calculated formula: C55 H43 Cl N8 O4 Ru
• SMILES: [Ru]123([n]4c(c5n1c1c(c5Nc5ccccc5)cccc1)c(=Nc1ccccc1)c1c4cccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cc1ccccc1
• Title of publication: Uncommon cis Configuration of a Metal-Metal Bridging Noninnocent Nindigo Ligand.
• Authors of publication: Mondal, Prasenjit; Plebst, Sebastian; Ray, Ritwika; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9348 - 9356
• a: 12.245 ± 0.0007 Å
• b: 13.6473 ± 0.0006 Å
• c: 15.3141 ± 0.0008 Å
• α: 99.265 ± 0.004°
• β: 110.594 ± 0.005°
• γ: 90.416 ± 0.004°
• Cell volume: 2358.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No