Information card for entry 4323680

Structure parameters

• Common name: compound 4
• Formula: C27 H26 Cl2 Co P2
• Calculated formula: C27 H26 Cl2 Co P2
• SMILES: [Co]1(Cl)(Cl)[P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.075 ± 0.002 Å
• b: 11.129 ± 0.003 Å
• c: 15.249 ± 0.002 Å
• α: 90°
• β: 89.39 ± 0.01°
• γ: 90°
• Cell volume: 2558.2 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.1278
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No