Information card for entry 7022979

Structure parameters

• Formula: C16 H23 Fe N S
• Calculated formula: C16 H23 Fe N S
• Title of publication: 2-Ferrocenyl-2-thiazoline as a building block of novel phosphine-free ligands.
• Authors of publication: Corona-Sánchez, Ricardo; Toscano, Rubén A; Ortega-Alfaro, M Carmen; Sandoval-Chávez, César; López-Cortés, José G
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11992 - 12004
• a: 16.558 ± 0.005 Å
• b: 8.011 ± 0.002 Å
• c: 12.175 ± 0.004 Å
• α: 90°
• β: 96.932 ± 0.004°
• γ: 90°
• Cell volume: 1603.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1326
• 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