Information card for entry 7719295

Structure parameters

• Formula: C16 H24 Br F4 Mn O3 Si4
• Calculated formula: C16 H24 Br F4 Mn O3 Si4
• Title of publication: Synthesis and characterization of π cyclopentadienyl complexes of manganese and iron with one to five fluorosilyl substituents. Crystal and molecular structures of [Mn(C₅Br{SiMe₂F}₄)(CO)₃] and [Mn(C₅{SiMe₂F}₅)(CO)₃].
• Authors of publication: Sünkel, Karlheinz; Bernhartzeder, Stephanie; Schubert, Susanna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 13689 - 13702
• a: 15.041 ± 0.013 Å
• b: 18.761 ± 0.014 Å
• c: 8.885 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2507 ± 4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No