Information card for entry 4323688

Structure parameters

• Common name: compound 11
• Formula: C41 H39 Cl Co P3
• Calculated formula: C41 H39 Cl Co P3
• SMILES: [Co]12([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)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: 20.723 ± 0.006 Å
• b: 10.274 ± 0.004 Å
• c: 16.871 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3592 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1369
• Weighted residual factors for significantly intense reflections: 0.1284
• Goodness-of-fit parameter for all reflections: 1.19
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No