Information card for entry 7713486

Structure parameters

• Formula: C48 H60 Br2 Cl4 N4 Pt
• Calculated formula: C48 H60 Br2 Cl4 N4 Pt
• Title of publication: Effect of Bromine Substitution on Blue Phosphorescent trans-(N-Heterocyclic Carbene)Pt(II) Acetylide Complexes
• Authors of publication: Khan, Amran; Gobeze, Habtom B.; Islam, Tanjila; Arman, Hadi; Schanze, Kirk
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.1877 ± 0.0001 Å
• b: 13.2995 ± 0.0002 Å
• c: 15.2041 ± 0.0002 Å
• α: 90°
• β: 95.834 ± 0.001°
• γ: 90°
• Cell volume: 2451.67 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No