Information card for entry 7055830

Structure parameters

• Formula: C23 H22 Cl N3 O3 Ru
• Calculated formula: C23 H22 Cl N3 O3 Ru
• SMILES: [Ru]123456(Cl)([N](N=C(O1)c1ccc(OC)cc1)=Cc1c7c(cccc7)[nH]c1)[cH]1[cH]6[cH]5[cH]4[cH]3[cH]21.O
• 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: 7.7924 ± 0.0004 Å
• b: 10.7114 ± 0.0004 Å
• c: 26.6417 ± 0.0012 Å
• α: 90°
• β: 91.178 ± 0.002°
• γ: 90°
• Cell volume: 2223.25 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.072
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No