Information card for entry 4065587

Structure parameters

• Chemical name: Bis(ε^5^-cyclopentdienyl)rheniumbismuthbis(1,1,1,3,3,3- hexafluoro-2-propanolate)
• Formula: C16 H12 Bi F12 O2 Re
• Calculated formula: C16 H12 Bi F12 O2 Re
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Re]16782345([cH]2[cH]1[cH]6[cH]7[cH]82)[Bi](OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• Title of publication: Heterometallic Complexes with Re−Bi Metal Bonds
• Authors of publication: Schiwon, Rafael; Knispel, Christina; Limberg, Christian
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1670
• a: 14.6191 ± 0.0003 Å
• b: 17.5119 ± 0.0004 Å
• c: 15.7302 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4027.06 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No