Information card for entry 4075677

Structure parameters

• Formula: C71 H52 P2 Pt
• Calculated formula: C71 H52 P2 Pt
• SMILES: [Pt]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1cc(ccc1C#Cc1ccccc1C#Cc1ccc(cc1C#C2)C(C)(C)C)C(C)(C)C.C1CCCC1.CCCCCC
• 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: 16.672 ± 0.003 Å
• b: 14.112 ± 0.003 Å
• c: 25.808 ± 0.005 Å
• α: 90°
• β: 101.914 ± 0.004°
• γ: 90°
• Cell volume: 5941 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.2169
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No