Information card for entry 7040056

Structure parameters

• Chemical name: (2,3-dihydrobenzofuran-2-yl)methyl rhodium porphyrin
• Formula: C117.35 H97.35 I0.07 N8 O10.93 Rh2
• Calculated formula: C117.352 H97.352 I0.072 N8 O10.928 Rh2
• Title of publication: Light induced catalytic intramolecular hydrofunctionalization of allylphenols mediated by porphyrin rhodium(iii) complexes.
• Authors of publication: Liu, Xu; Wang, Zikuan; Fu, Xuefeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13308 - 13310
• a: 12.1532 ± 0.0017 Å
• b: 21.943 ± 0.003 Å
• c: 22.09 ± 0.003 Å
• α: 68.884 ± 0.004°
• β: 81.902 ± 0.006°
• γ: 80.57 ± 0.005°
• Cell volume: 5399.6 ± 1.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2454
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No