Information card for entry 4341365

Structure parameters

• Formula: C38 H46 Cl N5 Ru
• Calculated formula: C38 H46 Cl N5 Ru
• SMILES: [RuH]12(Cl)([N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1C)C.c1ccccc1
• Title of publication: Synthesis of Tridentate 2,6-Bis(imino)pyridyl Ruthenium(II) Complexes with N-Heterocyclic Carbene Ligands: Activation of Imidazolium Salts.
• Authors of publication: Yoo, Hyojong; Berry, Donald H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11447 - 11456
• a: 8.0362 ± 0.0005 Å
• b: 13.8659 ± 0.0005 Å
• c: 17.5403 ± 0.0009 Å
• α: 67.466 ± 0.004°
• β: 87.847 ± 0.005°
• γ: 77.184 ± 0.004°
• Cell volume: 1757.86 ± 0.17 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0479
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No