Information card for entry 7709787

Structure parameters

• Formula: C60 H60 Cl6 F6 N4 O14 P Sb
• Calculated formula: C60 H60 Cl6 F6 N4 O14 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: 8.52553 ± 0.00012 Å
• b: 14.3097 ± 0.0002 Å
• c: 14.55804 ± 0.00017 Å
• α: 104.063 ± 0.0011°
• β: 103.83 ± 0.0011°
• γ: 102.004 ± 0.0012°
• Cell volume: 1604.74 ± 0.04 ų
• Cell temperature: 229.99 ± 0.11 K
• Ambient diffraction temperature: 229.99 ± 0.11 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No