Information card for entry 4308107

Structure parameters

• Chemical name: (OC-6-43)-Bis(9-bromo-6-(E)-[(alpha-picolyl-kappaN)imino-kappaN]- 7,12-dihydroindolo[3,2-d][1]benzazepine)chloro(dimethyl sulfoxide) ruthenium(II) chloride 2.8ethanol 0.2water
• Formula: C51.6 H55.2 Br2 Cl2 N8 O4 Ru S
• Calculated formula: C51.6 H54.8 Br2 Cl2 N8 O4 Ru S
• Title of publication: The First Ruthenium-Based Paullones: Syntheses, X-ray Diffraction Structures, and Spectroscopic and Antiproliferative Properties in Vitro
• Authors of publication: Wolfgang F. Schmid; Stefanie Zorbas-Seifried; Roland O. John; Vladimir B. Arion; Michael A. Jakupec; Alexander Roller; Markus Galanski; Ion Chiorescu; Haralabos Zorbas; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3645 - 3656
• a: 12.4094 ± 0.0003 Å
• b: 12.8933 ± 0.0003 Å
• c: 18.5633 ± 0.0005 Å
• α: 106.807 ± 0.002°
• β: 92.525 ± 0.002°
• γ: 108.003 ± 0.002°
• Cell volume: 2674.83 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No