Information card for entry 7053154

Structure parameters

• Formula: C20 H22 Cl F6 N3 P Rh S
• Calculated formula: C20 H22 Cl F6 N3 P Rh S
• SMILES: [Rh]12345(Cl)([n]6c[nH]cc6c6sc7ccccc7[n]16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Syntheses, characterization and molecular structures of novel Ru(ii), Rh(iii) and Ir(iii) complexes and their possible roles as antitumour and cytotoxic agents
• Authors of publication: Gupta, Gajendra; Sharma, Gunjan; Koch, Biplob; Park, Sunhong; Lee, Shim Sung; Kim, Jinkwon
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 8
• Pages of publication: 2573
• a: 7.7658 ± 0.0002 Å
• b: 10.8456 ± 0.0003 Å
• c: 27.334 ± 0.0008 Å
• α: 90°
• β: 93.128 ± 0.001°
• γ: 90°
• Cell volume: 2298.77 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No