Information card for entry 4104275

Structure parameters

• Formula: C26 H36 Br4 P2 Pt
• Calculated formula: C26 H36 Br4 P2 Pt
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c2cc(Br)ccc2c(Br)c2ccc(Br)cc12
• Title of publication: Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes
• Authors of publication: Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3150 - 3151
• a: 9.568 ± 0.0005 Å
• b: 17.4909 ± 0.0009 Å
• c: 37.2389 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6232 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No