Information card for entry 4075680

Structure parameters

• Formula: C126 H98 Cl4 O2 P4 Pt2
• Calculated formula: C126 H98 Cl4 O2 P4 Pt2
• SMILES: C1#Cc2cc(ccc2C#Cc2cc(c3C#Cc4c(C#C[Pt]5([P](CC[P]5(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)C#Cc5c(C#Cc2c3)ccc(c5)C(C)(C)C)cc(cc4)C(C)(C)C)C#Cc2ccc(cc2C#C[Pt]21[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C)C(C)(C)C.c1(c(cccc1)Cl)Cl.O.c1(c(cccc1)Cl)Cl.O
• 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: 10.0479 ± 0.0005 Å
• b: 16.5098 ± 0.0007 Å
• c: 17.2911 ± 0.0008 Å
• α: 75.252 ± 0.001°
• β: 74.988 ± 0.001°
• γ: 77.954 ± 0.001°
• Cell volume: 2647.8 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No