Information card for entry 7014910

Structure parameters

• Common name: (h6-(1-p-fluorophenyl-4-methoxyphenyl)Mn(CO)3)BF4
• Chemical name: [h6-(1-p-fluorophenyl-4-methoxyphenyl)Mn(CO)3]BF4
• Formula: C16.5 H13 B F5 Mn O4.5
• Calculated formula: C16.5 H11 B F5 Mn O4.5
• Title of publication: New access to (η(5)-cyclohexadienyl)Mn(CO)3 and cationic (η(6)-arene)Mn(CO)3 complexes by Suzuki-Miyaura reaction.
• Authors of publication: Rose-Munch, Françoise; Marti, Alex; Cetiner, Derya; Tranchier, Jean-Philippe; Rose, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1567 - 1575
• a: 18.588 ± 0.002 Å
• b: 9.445 ± 0.0011 Å
• c: 20.114 ± 0.0017 Å
• α: 90°
• β: 90.137 ± 0.008°
• γ: 90°
• Cell volume: 3531.3 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No