Information card for entry 1517520

Structure parameters

• Formula: C37 H22 Br2 Cl2 F6 N6 Pt2 S2
• Calculated formula: C37 H22 Br2 Cl2 F6 N6 Pt2 S2
• SMILES: [Pt]123([Pt]4(Br)(Sc5[n]2ccc(n5)C(F)(F)F)([n]2cccc5ccc6cccc4c6c25)[n]2c(S1)nc(cc2)C(F)(F)F)(Br)[n]1cccc2ccc4cccc3c4c12.ClCCl
• Title of publication: Half-Lantern Pt(II) and Pt(III) Complexes. New Cyclometalated Platinum Derivatives
• Authors of publication: Sicilia, Violeta; Borja, Pilar; Martín, Antonio
• Journal of publication: Inorganics
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 508
• a: 11.4798 ± 0.0002 Å
• b: 11.8668 ± 0.0002 Å
• c: 14.4711 ± 0.0003 Å
• α: 88.942 ± 0.002°
• β: 81.111 ± 0.002°
• γ: 78.41 ± 0.002°
• Cell volume: 1907.82 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No