Information card for entry 4340874

Structure parameters

• Common name: Rh2Br2(tfepma)2(4-F-C6H4NC)
• Formula: C25 H26 Br2 F25 N3 O8 P4 Rh2
• Calculated formula: C25 H26 Br2 F25 N3 O8 P4 Rh2
• SMILES: C(C(F)(F)F)O[P]1(N(C)[P](OCC(F)(F)F)(OCC(F)(F)F)[Rh]23(C(=Nc4ccc(cc4)F)[Rh]13([P](N(C)[P]2(OCC(F)(F)F)OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F)Br)Br)OCC(F)(F)F
• Title of publication: Halide-Bridged Binuclear HX-Splitting Catalysts.
• Authors of publication: Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9122 - 9128
• a: 10.2998 ± 0.0012 Å
• b: 10.3196 ± 0.0012 Å
• c: 12.2239 ± 0.0014 Å
• α: 68.119 ± 0.0017°
• β: 73.78 ± 0.0018°
• γ: 72.19 ± 0.0018°
• Cell volume: 1127.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No