Information card for entry 4313414

Structure parameters

• Formula: C36 H30 Cl2 P2 Zn
• Calculated formula: C36 H30 Cl2 P2 Zn
• SMILES: [Zn](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Direct Observation of Fine Structure Transitions in a Paramagnetic Nickel(II) Complex Using Far-Infrared Magnetic Spectroscopy: A New Method for Studying High-Spin Transition Metal Complexes
• Authors of publication: Suriyakan Vongtragool; Boris Gorshunov; Martin Dressel; J. Krzystek; David M. Eichhorn; Joshua Telser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1788 - 1790
• a: 11.816 ± 0.007 Å
• b: 17.205 ± 0.007 Å
• c: 16.94 ± 0.007 Å
• α: 89.99 ± 0.03°
• β: 104.55 ± 0.04°
• γ: 90.08 ± 0.04°
• Cell volume: 3333 ± 3 ų
• Cell temperature: 571.2 K
• Ambient diffraction temperature: 571.2 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: 0.1757
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections: 2.168
• Goodness-of-fit parameter for all reflections included in the refinement: 2.805
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No