Information card for entry 7002988

Structure parameters

• Formula: C26 H24 Cl N3 O3 Ru
• Calculated formula: C26 H24 Cl N3 O3 Ru
• SMILES: [Ru]123456(Cl)([n]7c8ccccc8ccc7C(=O)N1c1cc(N(=O)=O)ccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)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: 9.199 ± 0.0002 Å
• b: 18.203 ± 0.0004 Å
• c: 14.146 ± 0.0003 Å
• α: 90°
• β: 102.528 ± 0.001°
• γ: 90°
• Cell volume: 2312.34 ± 0.09 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: 0.0651
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No