Information card for entry 7714755

Structure parameters

• Formula: C48 H40 Cl0 F6 Mn N16 Sb
• Calculated formula: C48 H40 F6 Mn N16 Sb
• Title of publication: Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.
• Authors of publication: McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 938 - 948
• a: 8.7345 ± 0.0002 Å
• b: 9.3932 ± 0.0002 Å
• c: 15.3182 ± 0.0002 Å
• α: 85.452 ± 0.001°
• β: 89.317 ± 0.001°
• γ: 70.56 ± 0.001°
• Cell volume: 1181.26 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No