Information card for entry 7002985

Structure parameters

• Formula: C16 H18 Cl N O2 Ru
• Calculated formula: C16 H18 Cl N O2 Ru
• SMILES: [Ru]123456(Cl)([n]7c(C(=O)O1)cccc7)[c]1(C(C)C)[cH]2[cH]5[c]6([cH]4[cH]31)C
• Title of publication: Synthesis, molecular structure and evaluation of new organometallic ruthenium anticancer agents
• Authors of publication: Camm, Kenneth D.; El-Sokkary, Ahmed; Gott, Andrew L.; Stockley, Peter G.; Belyaeva, Tamara; McGowan, Patrick C.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10914 - 10925
• a: 10.0453 ± 0.0003 Å
• b: 15.1265 ± 0.0004 Å
• c: 10.3023 ± 0.0003 Å
• α: 90°
• β: 99.401 ± 0.002°
• γ: 90°
• Cell volume: 1544.41 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No