Information card for entry 7123402

Structure parameters

• Formula: C140 H186 F12 Mn2 N16 O14 S16 Sb2
• Calculated formula: C140 H186 F12 Mn2 N16 O14 S16 Sb2
• Title of publication: Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange
• Authors of publication: McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 16.1626 ± 0.001 Å
• b: 16.4059 ± 0.0013 Å
• c: 18.7657 ± 0.0017 Å
• α: 104.879 ± 0.007°
• β: 110.295 ± 0.005°
• γ: 103.963 ± 0.005°
• Cell volume: 4200.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.2999
• Residual factor for significantly intense reflections: 0.2499
• Weighted residual factors for significantly intense reflections: 0.5851
• Weighted residual factors for all reflections included in the refinement: 0.6259
• Goodness-of-fit parameter for all reflections included in the refinement: 2.354
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No