Information card for entry 7028443

Structure parameters

• Chemical name: bis[2,3,9,10,16,17,23,24-octa-phenylphthalocyanine] lutetium
• Formula: C260 H497 Lu N16 O100.5
• Calculated formula: C160 H96 Lu N16 O0.5
• Title of publication: Novel near-IR absorbing phenyl-substituted phthalo- and naphthalocyanine complexes of lanthanide(iii): synthesis and spectral and electrochemical properties.
• Authors of publication: Dubinina, Tatiana V.; Paramonova, Kseniya V.; Trashin, Stanislav A.; Borisova, Nataliya E.; Tomilova, Larisa G.; Zefirov, Nikolay S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2799 - 2809
• a: 31.393 ± 0.001 Å
• b: 31.393 ± 0.001 Å
• c: 10.6224 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10468.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No