Information card for entry 4319085

Structure parameters

• Formula: C20 H23 F3 N4 O3 S2
• Calculated formula: C20 H23 F3 N4 O3 S2
• Title of publication: Thermally Inert Metal Ammines as Light-Inducible DNA-Targeted Agents. Synthesis, Photochemistry, and Photobiology of a Prototypical Rhodium(III)-Intercalator Conjugate
• Authors of publication: Colin G. Barry; Elizabeth C. Turney; Cynthia S. Day; Gilda Saluta; Gregory L. Kucera; Ulrich Bierbach
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 7159 - 7169
• a: 9.5037 ± 0.0016 Å
• b: 11.4557 ± 0.0009 Å
• c: 11.55 ± 0.003 Å
• α: 64.228 ± 0.011°
• β: 80.82 ± 0.02°
• γ: 75.117 ± 0.013°
• Cell volume: 1092.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1008
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No