Information card for entry 7709788

Structure parameters

• Formula: C69 H86 F6 N4 O10 P Sb
• Calculated formula: C54 H50 F6 N4 O10 P Sb
• Title of publication: Antimony(+5) Ion Induced Tunable Intramolecular Charge Transfer in Hypervalent Antimony(V) Porphyrins
• Authors of publication: Holzer, Noah; Sharma, Jatan K.; Peterson, Steven; Bayard, Brandon J.; Nesterov, Vladimir; Karr, Paul A.; D'Souza, Francis; Poddutoori, Prashanth K.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.21938 ± 0.00012 Å
• b: 25.8007 ± 0.00018 Å
• c: 45.156 ± 0.0004 Å
• α: 90°
• β: 90.6426 ± 0.0008°
• γ: 90°
• Cell volume: 17730.3 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.05
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No