Information card for entry 4346875

Structure parameters

• Formula: C39 H28 Cl2 N P Pt
• Calculated formula: C39 H28 Cl2 N P Pt
• SMILES: [Pt](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c2c(cccc2)c2c(c1)ccc1c2c2c(cc1)cccc2
• Title of publication: Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.
• Authors of publication: Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2009 - 2017
• a: 50.798 ± 0.003 Å
• b: 15.1549 ± 0.0008 Å
• c: 17.5965 ± 0.001 Å
• α: 90°
• β: 95.369 ± 0.004°
• γ: 90°
• Cell volume: 13487 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No