Information card for entry 7700372

Structure parameters

• Formula: C19 H16 Mo O2 S
• Calculated formula: C19 H16 Mo O2 S
• Title of publication: Enhanced cytotoxicity of indenyl molybdenum(ii) compounds bearing a thiophene function.
• Authors of publication: Mrózek, Ondřej; Melounková, Lucie; Dostál, Libor; Císařová, Ivana; Eisner, Aleš; Havelek, Radim; Peterová, Eva; Honzíček, Jan; Vinklárek, Jaromír
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11361 - 11373
• a: 9.7184 ± 0.0007 Å
• b: 8.1432 ± 0.0006 Å
• c: 20.7926 ± 0.0014 Å
• α: 90°
• β: 100.207 ± 0.002°
• γ: 90°
• Cell volume: 1619.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No