Information card for entry 4083278

Structure parameters

• Chemical name: Compound [FBIP-CL]~2~
• Formula: C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4
• Calculated formula: C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4
• Title of publication: Asymmetric Synthesis of Heterobimetallic Planar Chiral Ferrocene Pallada-/Platinacycles and Their Application to Enantioselective Aza-Claisen Rearrangements
• Authors of publication: Weiss, Marcel; Frey, Wolfgang; Peters, René
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6365
• a: 15.2401 ± 0.0005 Å
• b: 30.2619 ± 0.0012 Å
• c: 15.5994 ± 0.0006 Å
• α: 90°
• β: 118.643 ± 0.002°
• γ: 90°
• Cell volume: 6313.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No