Information card for entry 7243607

Structure parameters

• Common name: bis(phthalocyaninato)-praseodymium
• Chemical name: (phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)
• Formula: C65 H34 Cl2 N16 Pr
• Calculated formula: C65 H34 Cl2 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: 28.1128 ± 0.0016 Å
• b: 22.9663 ± 0.0014 Å
• c: 7.8883 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5093.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No