Information card for entry 7709785

Structure parameters

• Formula: C49 H37 Cl9 F6 N4 O2 P Sb
• Calculated formula: C49 H37 Cl9 F6 N4 O2 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: 12.425 ± 0.0002 Å
• b: 26.115 ± 0.0005 Å
• c: 17.3913 ± 0.0004 Å
• α: 90°
• β: 108.59 ± 0.002°
• γ: 90°
• Cell volume: 5348.67 ± 0.19 ų
• Cell temperature: 229.99 ± 0.12 K
• Ambient diffraction temperature: 229.99 ± 0.12 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No