Information card for entry 7040518

Structure parameters

• Formula: C39 H42 Cl4 N4 O4 Pt
• Calculated formula: C39 H42 Cl4 N4 O4 Pt
• SMILES: [Pt](Cl)(Cl)(=C1N(C=CN1Cc1ccccc1)Cc1ccccc1)=C1N(C)C(=C(N1C)c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1.C(Cl)Cl
• 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: 11.133 ± 0.0004 Å
• b: 29.778 ± 0.0014 Å
• c: 12.116 ± 0.0004 Å
• α: 90°
• β: 101.539 ± 0.003°
• γ: 90°
• Cell volume: 3935.5 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No