Information card for entry 4348955

Structure parameters

• Formula: C34 H33 N3 Pt
• Calculated formula: C34 H33 N3 Pt
• SMILES: [Pt]123[N](=Cc4c5[n]1c1c(c5cc(c4)C)cc(cc1C=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C3)C)C
• Title of publication: Cyclometallation of the NNN pincer ligand in complexes of platinum
• Authors of publication: DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 912
• a: 8.062 ± 0.004 Å
• b: 13.212 ± 0.006 Å
• c: 15.156 ± 0.007 Å
• α: 106.698 ± 0.005°
• β: 104.862 ± 0.005°
• γ: 91.891 ± 0.005°
• Cell volume: 1484.6 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No