Information card for entry 4067610

Structure parameters

• Formula: C17 H16 Br Cl N2 Pt
• Calculated formula: C17 H16 Br Cl N2 Pt
• SMILES: [Pt]12(Cl)([n]3c(c4ccc(Br)cc4)cn4ccccc34)[CH2]=[C]1(C2)C
• Title of publication: One-Pot and Step-by-Step N-Assisted CPh−H Activation in 2-(4-Bromophenyl)imidazol[1,2-a]pyridine: Synthesis of a New C,N-Cyclometalated Compound [{Pt(C∧N)(μ-Cl)}2] as Precursor of Luminescent Platinum(II) Compounds
• Authors of publication: Forniés, Juan; Sicilia, Violeta; Larraz, Carmen; Camerano, José A.; Martín, Antonio; Casas, José M.; Tsipis, Athanassios C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1396
• a: 8.8175 ± 0.0001 Å
• b: 9.5511 ± 0.0001 Å
• c: 10.6372 ± 0.0001 Å
• α: 87.2887 ± 0.001°
• β: 73.8058 ± 0.0009°
• γ: 81.2471 ± 0.0009°
• Cell volume: 850.256 ± 0.016 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0185
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No