Information card for entry 4065644

Structure parameters

• Common name: 2
• Formula: C30 H41 Br P2 Pt
• Calculated formula: C30 H41 Br P2 Pt
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c2ccccc2cc2cc3ccccc3cc12
• Title of publication: Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation
• Authors of publication: Nguyen, Minh-Hai; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2422
• a: 8.8662 ± 0.0008 Å
• b: 10.2157 ± 0.001 Å
• c: 17.3034 ± 0.0017 Å
• α: 73.448 ± 0.002°
• β: 87.757 ± 0.002°
• γ: 80.25 ± 0.002°
• Cell volume: 1480.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No