Information card for entry 4313567

Structure parameters

• Common name: (dpap)2Rh(III)TPP, I
• Formula: C86 H60 Cl6 I N4 P2 Rh
• Calculated formula: C86 H60 Cl6 I N4 P2 Rh
• SMILES: c12=C(c3ccc4=C(c5ccccc5)c5ccc6C(=c7ccc8[n]7[Rh]([n]34)([P](c3ccccc3)(c3ccccc3)C#Cc3ccccc3)(n2c(=C8c2ccccc2)cc1)(n56)[P](c1ccccc1)(c1ccccc1)C#Cc1ccccc1)c1ccccc1)c1ccccc1.[I-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Complexation of Diphenyl(phenylacetenyl)phosphine to Rhodium(III) Tetraphenyl Porphyrins: Synthesis and Structural, Spectroscopic, and Thermodynamic Studies
• Authors of publication: Eugen Stulz; Sonya M. Scott; Andrew D. Bond; Sijbren Otto; Jeremy K. M. Sanders
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3086 - 3096
• a: 25.953 ± 0.0006 Å
• b: 11.612 ± 0.0002 Å
• c: 23.8501 ± 0.0006 Å
• α: 90°
• β: 91.116 ± 0.001°
• γ: 90°
• Cell volume: 7186.3 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No