Information card for entry 7121768

Structure parameters

• Chemical name: trans-di(N-acetyl-L-tyrosinato)[5,10,15,20-tetraphenylporphyrinato]-tin(IV)
• Formula: C80 H84 N6 O12 Sn
• Calculated formula: C72 H64 N6 O10 Sn
• Title of publication: Formation of a long-lived radical pair in a Sn(iv) porphyrin-di(l-tyrosinato) conjugate driven by proton-coupled electron-transfer.
• Authors of publication: Natali, Mirco; Amati, Agnese; Demitri, Nicola; Iengo, Elisabetta
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 48
• Pages of publication: 6148 - 6152
• a: 9.756 ± 0.002 Å
• b: 13.413 ± 0.003 Å
• c: 14.922 ± 0.003 Å
• α: 112.87 ± 0.03°
• β: 100.33 ± 0.03°
• γ: 94.47 ± 0.03°
• Cell volume: 1746.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No