Information card for entry 4071427

Structure parameters

• Formula: C68 H80 O2 P2 Pt
• Calculated formula: C68 H80 O2 P2 Pt
• SMILES: [Pt]12([P](=C3C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c3c3ccccc3c3c1cccc3)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[C](#[C]2c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: Synthesis and Structures of Platinum(0) Alkyne Complexes with Extended π-Conjugated Systems
• Authors of publication: Hayashi, Kyohei; Nakatani, Mitsuharu; Hayashi, Akito; Takano, Masato; Okazaki, Masaaki; Toyota, Kozo; Yoshifuji, Masaaki; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 1970
• a: 14.684 ± 0.003 Å
• b: 22.008 ± 0.004 Å
• c: 18.693 ± 0.003 Å
• α: 90°
• β: 107.72 ± 0.002°
• γ: 90°
• Cell volume: 5754.3 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No