Information card for entry 7002986

Structure parameters

• Formula: C22 H22 Cl N3 O3 Ru
• Calculated formula: C22 H22 Cl N3 O3 Ru
• SMILES: CC(C)[c]12[cH]3[cH]4[c]5(C)[cH]6[cH]1[Ru]123456([n]2ccccc2C(=O)N1c1ccc(cc1)N(=O)=O)Cl
• 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: 31.444 ± 0.006 Å
• b: 8.5608 ± 0.0017 Å
• c: 16.642 ± 0.003 Å
• α: 90°
• β: 113.19 ± 0.03°
• γ: 90°
• Cell volume: 4117.8 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.058
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No