Information card for entry 4331568

Structure parameters

• Formula: C49 H44 Br2 Cl Ga N8 O5
• Calculated formula: C49 H44 Br2 Cl Ga N8 O5
• Title of publication: The First Metal-Based Paullone Derivative with High Antiproliferative Activity in Vitro
• Authors of publication: Dobrov, Anatoly; Arion, Vladimir B.; Kandler, Norbert; Ginzinger, Werner; Jakupec, Michael A.; Rufińska, Anna; Graf von Keyserlingk, Nikolai; Galanski, Markus; Kowol, Christian; Keppler, Bernhard K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1945 - 1950
• a: 15.961 ± 0.003 Å
• b: 18.656 ± 0.004 Å
• c: 15.773 ± 0.003 Å
• α: 90°
• β: 102.14 ± 0.03°
• γ: 90°
• Cell volume: 4591.7 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No