Information card for entry 7714753

Structure parameters

• Formula: C97.5 H58 Cl4 F6 Mn2 N22 O Sb
• Calculated formula: C97.5 H58 Cl4 F6 Mn2 N22 O 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: 13.9153 ± 0.0005 Å
• b: 14.933 ± 0.0004 Å
• c: 25.6822 ± 0.0008 Å
• α: 89.6 ± 0.002°
• β: 80.169 ± 0.002°
• γ: 88.144 ± 0.002°
• Cell volume: 5255.6 ± 0.3 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: 0.118
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2809
• Weighted residual factors for all reflections included in the refinement: 0.2989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No