Information card for entry 4066480

Structure parameters

• Formula: C18 H28 Br4 N8 O2 Pt
• Calculated formula: C18 H28 Br4 N8 O2 Pt
• SMILES: O.[Br-].[Pt]12(=C3N(C=CN3CN3C=1N(C=C3)C)C)(=C1N(C=CN1CN1C=2N(C=C1)C)C)(Br)Br.O.[Br-]
• Title of publication: Platinum(IV) Complexes with Chelating N-Heterocyclic Carbene Ligands
• Authors of publication: Meyer, Dirk; Ahrens, Sebastian; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3392
• a: 7.68 ± 0.0013 Å
• b: 20.122 ± 0.0012 Å
• c: 8.318 ± 0.006 Å
• α: 90°
• β: 93.595 ± 0.015°
• γ: 90°
• Cell volume: 1282.9 ± 1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No