Information card for entry 7042067

Structure parameters

• Common name: no
• Chemical name: complex of decamethylchromocene with metal-free phthalocyanine, dichlorobenzene solvate
• Formula: C76 H64 Cl8 Cr N8
• Calculated formula: C76 H63.99 Cl8 Cr N8
• 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: 10.7851 ± 0.0006 Å
• b: 12.5254 ± 0.0006 Å
• c: 15.0629 ± 0.0007 Å
• α: 68.377 ± 0.004°
• β: 70.048 ± 0.005°
• γ: 71.112 ± 0.005°
• Cell volume: 1731.85 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0948
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No