Information card for entry 7002990

Structure parameters

• Formula: C12 H10 Cl N O2 Ru
• Calculated formula: C12 H10 Cl N O2 Ru
• SMILES: [Ru]123456(Cl)(OC(=O)c7cccc[n]67)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
• 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: 6.3799 ± 0.0002 Å
• b: 8.5718 ± 0.0003 Å
• c: 10.854 ± 0.0003 Å
• α: 75.937 ± 0.002°
• β: 77.251 ± 0.002°
• γ: 79.785 ± 0.002°
• Cell volume: 556.77 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No