Information card for entry 7705887

Structure parameters

• Formula: C30 H29 Cl N4 Ru
• Calculated formula: C30 H29 Cl N4 Ru
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456(=C2N(c3c1cccc3)N=C(N2c1ccccc1)Nc1ccccc1)Cl)C)C(C)C
• Title of publication: C-C coupling formation using nitron complexes.
• Authors of publication: Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16903 - 16915
• a: 9.6026 ± 0.0009 Å
• b: 12.302 ± 0.0013 Å
• c: 13.6024 ± 0.0015 Å
• α: 100.477 ± 0.005°
• β: 109.614 ± 0.004°
• γ: 110.59 ± 0.005°
• Cell volume: 1332.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.101
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No