Information card for entry 7055829

Structure parameters

• Formula: C27 H28 Cl N3 O2 Ru
• Calculated formula: C27 H28 Cl N3 O2 Ru
• SMILES: [Ru]123456(Cl)([N](N=C(O1)c1ccc(cc1)OC)=Cc1c[nH]c7c1cccc7)[cH]1[cH]5[c]4([cH]2[cH]3[c]61C(C)C)C
• Title of publication: Synthesis and molecular structure of arene ruthenium(ii) benzhydrazone complexes: impact of substitution at the chelating ligand and arene moiety on antiproliferative activity
• Authors of publication: Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Liu, Yu
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9813
• a: 11.9632 ± 0.0004 Å
• b: 12.8382 ± 0.0004 Å
• c: 18.2364 ± 0.0006 Å
• α: 90°
• β: 108.636 ± 0.002°
• γ: 90°
• Cell volume: 2654 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No