Information card for entry 7714854

Structure parameters

• Formula: C29 H29 Cl N2 O2 Ru
• Calculated formula: C29 H29 Cl N2 O2 Ru
• SMILES: [Ru]123456(Cl)(OC(=N[N]1=Cc1c7ccccc7ccc1)c1ccc(OC)cc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
• Title of publication: Half-sandwich ruthenium complexes with acylhydrazone ligands: synthesis and catalytic activity in the <i>N</i>-alkylation of hydrazides.
• Authors of publication: Li, Heng; Wang, Ke; Yang, Lin; Luo, Yu-Zhou; Yao, Zi-Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2797 - 2806
• a: 26.2188 ± 0.0018 Å
• b: 12.3812 ± 0.0008 Å
• c: 16.2184 ± 0.0011 Å
• α: 90°
• β: 99.153 ± 0.002°
• γ: 90°
• Cell volume: 5197.8 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No