Information card for entry 7243602

Structure parameters

• Common name: bis(phthalocyaninato)-Pr
• Chemical name: (phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)
• Formula: C64 H32 N16 Pr
• Calculated formula: C64 H32 N16 Pr
• Title of publication: Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs
• Authors of publication: Dailey, Maegan; Besson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 7151 - 7161
• a: 28.106 ± 0.003 Å
• b: 14.1593 ± 0.001 Å
• c: 13.1975 ± 0.0008 Å
• α: 90°
• β: 115.551 ± 0.004°
• γ: 90°
• Cell volume: 4738.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No