Information card for entry 7040520

Structure parameters

• Formula: C34 H32 Cl2 N4 Pt
• Calculated formula: C34 H32 Cl2 N4 Pt
• SMILES: [Pt](Cl)(Cl)(=C1N(C=CN1Cc1ccccc1)Cc1ccccc1)=C1N(C=CN1Cc1ccccc1)Cc1ccccc1
• Title of publication: Novel cis-[(NHC)(1)(NHC)(2)(L)Cl]platinum(ii) complexes - synthesis, structures, and anticancer activities.
• Authors of publication: Rehm, Tobias; Rothemund, Matthias; Muenzner, Julienne K.; Noor, Awal; Kempe, Rhett; Schobert, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15390
• a: 7.538 ± 0.0003 Å
• b: 33.648 ± 0.0012 Å
• c: 12.181 ± 0.0005 Å
• α: 90°
• β: 95.951 ± 0.003°
• γ: 90°
• Cell volume: 3072.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No