Information card for entry 4336723

Structure parameters

• Formula: C34 H24 Cl3 N3 Pt
• Calculated formula: C34 H24 Cl3 N3 Pt
• SMILES: [Pt]12(Cl)(n3c(c4ccccc4)c(Cl)c(c4ccccc4)c3N=c3c(c4ccccc4)c(c(c4ccccc4)[n]13)Cl)[CH2]=[CH2]2
• Title of publication: Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)
• Authors of publication: Nihal Deligonul; Thomas G. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13048 - 13057
• a: 13.1606 ± 0.0012 Å
• b: 10.8048 ± 0.001 Å
• c: 22.753 ± 0.002 Å
• α: 90°
• β: 95.464 ± 0.001°
• γ: 90°
• Cell volume: 3220.7 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No