Information card for entry 7020081

Structure parameters

• Formula: C19 H18 Cr N2 O4 S
• Calculated formula: C19 H18 Cr N2 O4 S
• Title of publication: Synthesis of Fischer type-carbene complexes containing a coordinated thioimidate structural motif.
• Authors of publication: Cedillo-Cruz, Alberto; Ortega-Alfaro, M Carmen; López-Cortés, José G; Alfredo Toscano, Rubén; Penieres-Carrillo, J Guillermo; Alvarez-Toledano, Cecilio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10568 - 10575
• a: 7.7273 ± 0.0005 Å
• b: 40.58 ± 0.003 Å
• c: 12.9049 ± 0.0008 Å
• α: 90°
• β: 107.026 ± 0.001°
• γ: 90°
• Cell volume: 3869.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No