Information card for entry 7243590

Structure parameters

• Common name: (bis)phthalocyanine neodymium
• Chemical name: (phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)
• Formula: C65 H34 Cl2 N16 Nd
• Calculated formula: C65 H34 Cl2 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: 28.0851 ± 0.0016 Å
• b: 22.9636 ± 0.0013 Å
• c: 7.8897 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5088.3 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No