Information card for entry 2020420

Structure parameters

• Common name: 2
• Chemical name: (<i>SP</i>-4-4)-(<i>R</i>)-[2-(1-Aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>][(<i>R</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>](isocyanato-κ<i>N</i>)platinum(II)
• Formula: C17 H19 F2 N3 O Pt
• Calculated formula: C17 H19 F2 N3 O Pt
• SMILES: [Pt]1([NH2][C@@H](c2c1cc(F)cc2)C)([NH2][C@@H](c1ccc(F)cc1)C)N=C=O
• Title of publication: Hydrogen <i>versus</i> fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex
• Authors of publication: Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 184 - 188
• a: 4.5317 ± 0.0004 Å
• b: 12.6474 ± 0.0011 Å
• c: 28.675 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1643.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes