Information card for entry 7002987

Structure parameters

• Formula: C22 H22 Cl N3 O3 Ru
• Calculated formula: C22 H22 Cl N3 O3 Ru
• SMILES: [Ru]123456(Cl)([n]7c(C(=O)N1c1cccc(N(=O)=O)c1)cccc7)[c]1(C(C)C)[cH]2[cH]3[c]4([cH]5[cH]61)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: 29.889 ± 0.006 Å
• b: 8.6993 ± 0.0017 Å
• c: 15.96 ± 0.003 Å
• α: 90°
• β: 100.24 ± 0.03°
• γ: 90°
• Cell volume: 4083.7 ± 1.4 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: 0.0474
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No