Information card for entry 4323682

Structure parameters

• Common name: compound 1*(CoCl3thf)2
• Formula: C96 H86 Cl8 Co4 O3.5 P6
• Calculated formula: C96 H86 Cl8 Co4 O3.5 P6
• 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: 13.059 ± 0.001 Å
• b: 13.796 ± 0.001 Å
• c: 14.526 ± 0.001 Å
• α: 105.18 ± 0.01°
• β: 98.34 ± 0.01°
• γ: 105.93 ± 0.01°
• Cell volume: 2361.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0648
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1393
• Weighted residual factors for significantly intense reflections: 0.1181
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No