Information card for entry 7055345

Structure parameters

• Formula: C33 H36 I2 N4 O Pt
• Calculated formula: C33 H36 I2 N4 O Pt
• SMILES: C1(N(C=CN1Cc1ccc(cc1)/C=N/OCc1c2ccccc2cc2ccccc12)C)=[Pt]([NH2]C1CCCCC1)(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: 8.788 ± 0.0004 Å
• b: 13.2107 ± 0.0005 Å
• c: 15.6462 ± 0.0006 Å
• α: 112.549 ± 0.002°
• β: 91.335 ± 0.002°
• γ: 104.644 ± 0.002°
• Cell volume: 1608.33 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No