Information card for entry 7056293

Structure parameters

• Common name: no
• Chemical name: lead phthalocyanine salt with cryptand[2,2,2] sodium cations, dichlorobenzene solvate
• Formula: C56 H56 Cl2 N10 Na O6 Pb
• Calculated formula: C56.0018 H56.0036 Cl2 N10.0002 Na1.0001 O6.0006 Pb
• Title of publication: Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties
• Authors of publication: Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 6866 - 6874
• a: 12.73638 ± 0.00018 Å
• b: 30.5287 ± 0.0004 Å
• c: 14.2894 ± 0.0002 Å
• α: 90°
• β: 109.232 ± 0.0016°
• γ: 90°
• Cell volume: 5246 ± 0.13 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No