Information card for entry 1514515

Structure parameters

• Formula: C25 H26 Cl2 F25 N3 O8 P4 Rh2
• Calculated formula: C25 H26 Cl2 F25 N3 O8 P4 Rh2
• SMILES: [Rh]123([Rh]([P](OCC(F)(F)F)(N([P]2(OCC(F)(F)F)OCC(F)(F)F)C)OCC(F)(F)F)([P](OCC(F)(F)F)(N([P]1(OCC(F)(F)F)OCC(F)(F)F)C)OCC(F)(F)F)(Cl)C3=Nc1ccc(cc1)F)Cl
• 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: 10.1595 ± 0.0009 Å
• b: 10.386 ± 0.001 Å
• c: 12.0283 ± 0.0011 Å
• α: 73.962 ± 0.002°
• β: 69.049 ± 0.001°
• γ: 71.477 ± 0.002°
• Cell volume: 1104.74 ± 0.18 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: 0.0439
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No