Information card for entry 7042068

Structure parameters

• Common name: no
• Chemical name: complex of decamethylcobaltocene with metal-free phthaloyanine, dichlorobenzene, benzonitrile, n-hexane solvate
• Formula: C61.7 H57.65 Cl Co N8.7
• Calculated formula: C61.7015 H57.6475 Cl1.001 Co N8.7045
• Title of publication: Charge transfer complexes of metal-free phthalocyanine radical anions with decamethylmetallocenium cations: (Cp*2Co(+))(H2Pc˙(-))·solvent and (Cp*2Cr(+))(H2Pc˙(-))·4C6H4Cl2.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3492 - 3499
• a: 14.339 ± 0.002 Å
• b: 18.376 ± 0.003 Å
• c: 20.764 ± 0.003 Å
• α: 90.13 ± 0.013°
• β: 101.362 ± 0.014°
• γ: 103.949 ± 0.013°
• Cell volume: 5198.7 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.4336
• Residual factor for significantly intense reflections: 0.1182
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No