Information card for entry 4072699

Structure parameters

• Chemical name: 8-Methyl-6,6,10,10,10-pentacarbonyl-9-tert-butylhydrazono-6,10- diferra-7-oxa-2,5-dithiapentacycle[4.3.0.1^2,5^.0^1,10^.0^6,10^] decan-7,9-diene
• Formula: C15 H16 Fe2 N2 O6 S2
• Calculated formula: C15 H16 Fe2 N2 O6 S2
• Title of publication: C−S Bond Activation of Two Novel Asymmetric α-azo-Ketenedithioacetals Using Fe2(CO)9
• Authors of publication: Ortega-Alfaro, M. Carmen; Alcantara, Olga; Orrala, Manuel; López-Cortés, José G.; Toscano, Ruben A.; Alvarez-Toledano, Cecilio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1895
• a: 7.519 ± 0.001 Å
• b: 7.918 ± 0.001 Å
• c: 19.177 ± 0.001 Å
• α: 97.179 ± 0.002°
• β: 94.098 ± 0.002°
• γ: 113.176 ± 0.002°
• Cell volume: 1032.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No