Information card for entry 4066407

Structure parameters

• Formula: C30 H41 B Fe2 O2
• Calculated formula: C30 H41 B Fe2 O2
• SMILES: [Fe]12345678([c]9(B(O)[c]%10%11[cH]%12[Fe]%13%14%15%16%17%18%10([cH]%12[cH]%13[cH]%11%14)[c]%10([c]%15([c]%16([c]%17([c]%18%10C)C)C)C)C)[cH]1[cH]2[cH]3[cH]49)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.O
• Title of publication: Reactivity of [(C5Me5)Fe(C5H4BBr2)] and [(OC)3Mn(C5H4BBr2)] toward Et3SiH: Facile Access to [(OC)3Mn(C5H4BH2)]2and to Boron-Bridged Dinuclear Organometallics†
• Authors of publication: Eckensberger, U. David; Weber, Mitra; Wildt, Julia; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5301
• a: 8.2304 ± 0.0006 Å
• b: 12.4285 ± 0.0009 Å
• c: 13.889 ± 0.001 Å
• α: 98.643 ± 0.006°
• β: 94.324 ± 0.006°
• γ: 90.25 ± 0.006°
• Cell volume: 1400.42 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No