Information card for entry 7056603

Structure parameters

• Formula: C40 H50 Cl16 N4 Ru2
• Calculated formula: C40 H50 Cl16 N4 Ru2
• SMILES: C1(N(C)C=CN1Cc1ccc(CN2C(N(C)C=C2)=[Ru]23456([cH]7[cH]2[c]3([cH]4[cH]5[c]67C(C)C)C)(Cl)Cl)cc1)=[Ru]12345([cH]6[cH]1[c]2([cH]3[cH]4[c]56C(C)C)C)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications
• Authors of publication: Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 12736 - 12745
• a: 16.376 ± 0.011 Å
• b: 10.424 ± 0.007 Å
• c: 20.145 ± 0.01 Å
• α: 90°
• β: 127.64 ± 0.04°
• γ: 90°
• Cell volume: 2723 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1477
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No