Information card for entry 4336960

Structure parameters

• Formula: C107 H37 Cl2 Co Fe N P2
• Calculated formula: C107 H37 Cl2 Co Fe N P2
• Title of publication: Mononuclear Coordination Complexes of Fullerene C60 with Zerovalent Cobalt Having S = 1/2 Spin State: Co(η2-C60)(L)(C6H5CN).(o-C6H4Cl2) (L = 1,2-bis(diphenylphosphino)ethane and 1,1'-bis(diphenylphosphino)ferrocene)
• Authors of publication: Dmitri V. Konarev; Salavat S. Khasanov; Sergey I. Troyanov; Yoshiaki Nakano; Ksenya A. Ustimenko; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13934 - 13940
• a: 13.3142 ± 0.0015 Å
• b: 14.8668 ± 0.0015 Å
• c: 20.051 ± 0.002 Å
• α: 94.646 ± 0.01°
• β: 106.285 ± 0.01°
• γ: 116.348 ± 0.01°
• Cell volume: 3315.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No