Information card for entry 4323686

Structure parameters

• Common name: compound 9*BPh4
• Formula: C66 H64 B Cl3 Co N P3
• Calculated formula: C66 H64 B Cl3 Co N P3
• SMILES: [Co]12(Cl)([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[NH3].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 9.661 ± 0.001 Å
• b: 15.635 ± 0.002 Å
• c: 19.562 ± 0.002 Å
• α: 85.94 ± 0.01°
• β: 83.11 ± 0.01°
• γ: 73.61 ± 0.01°
• Cell volume: 2812.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.1187
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections: 0.1277
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No