Information card for entry 7123407

Structure parameters

• Formula: C74 H90 F6 Mn N10 O8 Sb
• Calculated formula: C74 H86 F6 Mn N10 O8 Sb
• 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: 9.5442 ± 0.0002 Å
• b: 22.0391 ± 0.0006 Å
• c: 33.9345 ± 0.0007 Å
• α: 90°
• β: 95.618 ± 0.002°
• γ: 90°
• Cell volume: 7103.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.2724
• Weighted residual factors for all reflections included in the refinement: 0.297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No