Information card for entry 1514516

Structure parameters

• Formula: C26 H29 Cl2 F24 N3 O9 P4 Rh2
• Calculated formula: C26 H29 Cl2 F24 N3 O9 P4 Rh2
• SMILES: COc1ccc(cc1)N=C1[Rh]23([Rh]1(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)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: 12.0403 ± 0.0008 Å
• b: 19.3984 ± 0.0013 Å
• c: 20.6248 ± 0.0014 Å
• α: 90°
• β: 106.961 ± 0.001°
• γ: 90°
• Cell volume: 4607.7 ± 0.5 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: 0.0674
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No