Information card for entry 1514514

Structure parameters

• Common name: Rh(I)Rh(III)tfepma2Cl4(CNAd)2
• Formula: C40 H52 Cl4 F24 N3 O8 P4 Rh2
• Calculated formula: C40 H52 Cl4 F24 N4 O8 P4 Rh2
• SMILES: [Rh]12([Rh](Cl)([P](N([P]1(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)(C#[N]C12CC3CC(C1)CC(C2)C3)C#[N]C12CC3CC(C1)CC(C2)C3)(Cl)(Cl)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: 12.7242 ± 0.0005 Å
• b: 20.3878 ± 0.0008 Å
• c: 23.2389 ± 0.0009 Å
• α: 90°
• β: 97.497 ± 0.001°
• γ: 90°
• Cell volume: 5977.1 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No