Information card for entry 4340875

Structure parameters

• Common name: Rh2Br4(tfepma)2(4-F-C6H4NC)
• Formula: C25 H24 Br4 F25 N3 O8 P4 Rh2
• Calculated formula: C25 H24 Br4 F25 N3 O8 P4 Rh2
• SMILES: CN1[P](OCC(F)(F)F)(OCC(F)(F)F)[Rh]23(Br)([Br][Rh]2([P]1(OCC(F)(F)F)OCC(F)(F)F)(Br)(C#[N]c1ccc(cc1)F)[P](N(C)[P]3(OCC(F)(F)F)OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F)Br
• 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: 14.074 ± 0.002 Å
• b: 21.28 ± 0.003 Å
• c: 9.6086 ± 0.0015 Å
• α: 90°
• β: 124.859 ± 0.002°
• γ: 90°
• Cell volume: 2361.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No