Information card for entry 7109203

Structure parameters

• Formula: C58 H65 B Cl2 F4 N2 P2 Pt Se
• Calculated formula: C58 H65 B Cl2 F4 N2 P2 Pt Se
• SMILES: [Pt](=C1C(=C1N(C(C)C)C(C)C)N(C(C)C)C(C)C)([Se]c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].ClCCl
• Title of publication: Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications
• Authors of publication: Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4145
• a: 10.4351 ± 0.0012 Å
• b: 16.4154 ± 0.0016 Å
• c: 16.7476 ± 0.0003 Å
• α: 76.054 ± 0.004°
• β: 89.013 ± 0.004°
• γ: 84.58 ± 0.005°
• Cell volume: 2771.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No