Information card for entry 4338764

Structure parameters

• Formula: C32 H45 Cl2 O P2 Rh
• Calculated formula: C32 H45 Cl2 O P2 Rh
• SMILES: [Rh]1234(Cl)(Cl)([P]5=P(c6ccc7c8c(ccc5c68)CC7)(C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.O1CCCC1
• Title of publication: Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.
• Authors of publication: Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6856 - 6866
• a: 15.138 ± 0.003 Å
• b: 13.808 ± 0.003 Å
• c: 16.874 ± 0.003 Å
• α: 90°
• β: 99.358 ± 0.019°
• γ: 90°
• Cell volume: 3480.2 ± 1.2 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.5012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No