Information card for entry 1514517

Structure parameters

• Formula: C25 H26 Cl4 F25 N3 O8 P4 Rh2
• Calculated formula: C25 H26 Cl4 F25 N3 O8 P4 Rh2
• SMILES: Fc1ccc(cc1)[N]#C[Rh]123(Cl)[Cl][Rh]1(Cl)(Cl)([P](N([P]3(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F)[P](N([P]2(OCC(F)(F)F)OCC(F)(F)F)C)(OCC(F)(F)F)OCC(F)(F)F
• Title of publication: Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.
• Authors of publication: Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 2880
• a: 12.2025 ± 0.0013 Å
• b: 21.385 ± 0.002 Å
• c: 20.398 ± 0.002 Å
• α: 90°
• β: 98.351 ± 0.002°
• γ: 90°
• Cell volume: 5266.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No