Information card for entry 4307556

Structure parameters

• Formula: C98 H111 Cl3 N12 O14 Pt3 Si4
• Calculated formula: C93 H101 Cl3 N12 O12 Pt3 Si4
• SMILES: [Pt]1(n2c3ccc(O[Si](C)(C)C(C)(C)C)cc3c3c4C(=O)N([Si](C)(C)C(C)(C)C)C(=O)c4c4ccc[n]1c4c23)(Cl)[n]1ccc(OC)cc1.[Pt]1(n2c3ccc(O[Si](C)(C)C(C)(C)C)cc3c3c4C(=O)NC(=O)c4c4ccc[n]1c4c23)(Cl)[n]1ccc(OC)cc1.[Pt]1(n2c3ccc(O[Si](C)(C)C(C)(C)C)cc3c3c4C(=O)NC(=O)c4c4ccc[n]1c4c23)(Cl)[n]1ccc(OC)cc1
• Title of publication: Platinum Complex as a Nanomolar Protein Kinase Inhibitor
• Authors of publication: Douglas S. Williams; Patrick J. Carroll; Eric Meggers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2944 - 2946
• a: 17.1297 ± 0.0005 Å
• b: 43.1511 ± 0.0011 Å
• c: 14.8137 ± 0.0004 Å
• α: 90°
• β: 112.676 ± 0.001°
• γ: 90°
• Cell volume: 10103.4 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 7
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No