Information card for entry 4323689

Structure parameters

• Common name: compound 12*BCl4
• Formula: C41.75 H39 B Cl6.5 Co F0 N0 O0.13 P3
• Calculated formula: C83.5 H78 B2 Cl13 Co2 O0.25 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: 23.452 ± 0.004 Å
• b: 23.483 ± 0.004 Å
• c: 33.697 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18558 ± 6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 9
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections: 0.1997
• Weighted residual factors for significantly intense reflections: 0.1968
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No