Information card for entry 7243585

Structure parameters

• Common name: (bis)phthalocyanine neodymium
• Chemical name: (phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)
• Formula: C64 H32 N16 Nd
• Calculated formula: C64 H32 N16 Nd
• 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: 19.937 ± 0.005 Å
• b: 19.937 ± 0.005 Å
• c: 6.4202 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2551.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.3028
• Weighted residual factors for all reflections included in the refinement: 0.3147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No