Information card for entry 4312163

Structure parameters

• Common name: mbn2
• Formula: C48 H42 Cl O4 P2 Rh
• Calculated formula: C48 H42 Cl O4 P2 Rh
• SMILES: [Rh]123([P](C#Cc4ccccc4)(c4ccccc4)c4ccccc4)([P](C#Cc4ccccc4)(c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]3=[CH]2CC4.Cl(=O)(=O)(=O)[O-]
• Title of publication: Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]
• Authors of publication: Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8185 - 8198
• a: 9.7616 ± 0.0001 Å
• b: 20.5301 ± 0.0003 Å
• c: 20.6733 ± 0.0003 Å
• α: 90°
• β: 99.928 ± 0.001°
• γ: 90°
• Cell volume: 4081.02 ± 0.09 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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 all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No