Information card for entry 4125330

Structure parameters

• Formula: C184 H94 Cl Co2 N P2
• Calculated formula: C184.012 H94.028 Cl Co2 N P2
• Title of publication: Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 51
• Pages of publication: 16592 - 16595
• a: 30.8484 ± 0.0014 Å
• b: 14.3774 ± 0.0007 Å
• c: 27.9871 ± 0.0013 Å
• α: 90°
• β: 111.063 ± 0.001°
• γ: 90°
• Cell volume: 11583.5 ± 0.9 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No