Information card for entry 4323687

Structure parameters

• Common name: compound 10*BPh4
• Formula: C71 H68 B Cl Co N3 P3
• Calculated formula: C71 H68 B Cl Co N3 P3
• SMILES: [Co]12(Cl)([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[N]#CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC
• 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: 12.308 ± 0.003 Å
• b: 16.249 ± 0.005 Å
• c: 17.302 ± 0.004 Å
• α: 65.57 ± 0.02°
• β: 72.27 ± 0.02°
• γ: 81.95 ± 0.02°
• Cell volume: 3000.4 ± 1.5 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: 0.0569
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.0989
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No