Information card for entry 4075678

Structure parameters

• Formula: C78 H73 O2 P2 Pt
• Calculated formula: C78 H73 O2 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C#Cc2cc(ccc2C#Cc2ccccc2C#Cc2ccc(cc2C#C1)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes
• Authors of publication: Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1161
• a: 26.1543 ± 0.0014 Å
• b: 15.383 ± 0.0008 Å
• c: 31.5394 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12689.3 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No