Information card for entry 4114922

Structure parameters

• Formula: C420 H128 Cl12 Co2 Cr4 N16
• Calculated formula: C420 H128 Cl12 Co2 Cr4 N16
• Title of publication: Synthesis and Crystal Structure of Ionic Multicomponent Complex: {[CrI(PhH)2].+}2[CoIITPP(C60(CN)2)]-[C60(CN)2].-.3(o-C6H4Cl2) Containing C60(CN)2.- Radical Anion and σ-Bonded Diamagnetic CoIITPP(C60(CN)2)- Anion
• Authors of publication: Dmitry V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Yukihiro Yoshida; Gunzi Saito
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 7648 - 7649
• a: 13.967 ± 0.001 Å
• b: 15.928 ± 0.001 Å
• c: 30.332 ± 0.001 Å
• α: 92.3 ± 0.01°
• β: 100.89 ± 0.01°
• γ: 103.46 ± 0.01°
• Cell volume: 6419.3 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No