Information card for entry 4064419

Structure parameters

• Chemical name: Bis[(μ~2~-bromo)-bromo-(1,1'-bis(diisopropylphosphino)ferrocene-P,P')-nitrosyl-rhenium(I)] dichloromethane solvate
• Formula: C48 H80 Br4 Cl8 Fe2 N2 O2 P4 Re2
• Calculated formula: C48 H80 Br4 Cl8 Fe2 N2 O2 P4 Re2
• Title of publication: Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines
• Authors of publication: Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2986
• a: 11.0458 ± 0.0003 Å
• b: 12.3739 ± 0.0004 Å
• c: 13.1814 ± 0.0005 Å
• α: 84.95 ± 0.003°
• β: 68.289 ± 0.003°
• γ: 74.162 ± 0.003°
• Cell volume: 1610.11 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No