Information card for entry 1514518

Structure parameters

• Formula: C33 H37 Cl4 F24 N3 O9 P4 Rh2
• Calculated formula: C33 H37 Cl4 F24 N3 O9 P4 Rh2
• SMILES: Cc1ccccc1.COc1ccc(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: 10.7825 ± 0.0005 Å
• b: 15.2029 ± 0.0008 Å
• c: 18.7253 ± 0.0009 Å
• α: 87.983 ± 0.001°
• β: 80.065 ± 0.001°
• γ: 73.223 ± 0.001°
• Cell volume: 2894.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No