Information card for entry 4323683

Structure parameters

• Common name: compound 5
• Formula: C41.8 H39 Cl5.6 Co Fe O0 P3
• Calculated formula: C41.8 H39 Cl5.6 Co Fe P3
• Title of publication: Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity
• Authors of publication: Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5457 - 5469
• a: 12.808 ± 0.001 Å
• b: 19.632 ± 0.002 Å
• c: 17.038 ± 0.002 Å
• α: 90°
• β: 92.13 ± 0.01°
• γ: 90°
• Cell volume: 4281.2 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.167
• Weighted residual factors for significantly intense reflections: 0.1402
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No