Information card for entry 7714758

Structure parameters

• Formula: C41.67 H25.33 Cl4.67 F4 Mn0.67 N6.67 O0 Sb0.67
• Calculated formula: C41.6667 H25.6667 Cl4.66667 F4 Mn0.666667 N6.66667 Sb0.666667
• 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: 23.6576 ± 0.0004 Å
• b: 23.6576 ± 0.0004 Å
• c: 42.1881 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23611.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No