Information card for entry 7055344

Structure parameters

• Formula: C17 H17 I2 N3 O Pt
• Calculated formula: C17 H17 I2 N3 O Pt
• SMILES: C1(N(C=CN1C)Cc1ccc(cc1)C=O)=[Pt]([n]1ccccc1)(I)I
• Title of publication: Post-functionalization of platinum‒NHC complexes by oxime ligation for ligand targeted therapy
• Authors of publication: Borré, Etienne; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3164
• a: 30.1303 ± 0.0007 Å
• b: 9.2069 ± 0.0002 Å
• c: 14.6698 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4069.5 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No