Information card for entry 7004064

Structure parameters

• Formula: C42 H42 As2 I2 O2 Pt
• Calculated formula: C42 H42 As2 I2 O2 Pt
• SMILES: c1(c(cccc1)OC(C)C)[As]([Pt](I)(I)[As](c1c(cccc1)OC(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The CellScan technology for in vitro studies on novel platinum complexes with organoarsenic ligands
• Authors of publication: Fischer-Fodor, Eva; Moldovan, Natalia; Virag, Piroska; Soritau, Olga; Brie, Ioana; Lönnecke, Peter; Hey-Hawkins, Evamarie; Silaghi-Dumitrescu, Luminita
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6393 - 6400
• a: 9.3016 ± 0.0016 Å
• b: 18.216 ± 0.003 Å
• c: 12.156 ± 0.002 Å
• α: 90°
• β: 106.261 ± 0.003°
• γ: 90°
• Cell volume: 1977.3 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No