Information card for entry 4067611

Structure parameters

• Formula: C32 H24 Br Cl4 N2 P Pt
• Calculated formula: C32 H24 Br Cl4 N2 P Pt
• SMILES: [Pt]1(c2cc(Br)ccc2c2[n]1c1ccccn1c2)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• 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: 20.3525 ± 0.0005 Å
• b: 8.166 ± 0.0001 Å
• c: 20.4811 ± 0.0005 Å
• α: 90°
• β: 118.07 ± 0.003°
• γ: 90°
• Cell volume: 3003.54 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0359
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No