Information card for entry 7053510

Structure parameters

• Formula: C58 H72 P2 Pt S2
• Calculated formula: C58 H72 P2 Pt S2
• SMILES: C12=[P](c3c(cc(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)[Pt]3(Sc4ccccc4S3)[P](=C2C(=C1c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and structures of platinum diphenylacetylene and dithiolate complexes bearing diphosphinidenecyclobutene ligands (DPCB-Y)
• Authors of publication: Nakajima, Yumiko; Nakatani, Mitsuharu; Hayashi, Kyohei; Shiraishi, Yu; Takita, Ryo; Okazaki, Masaaki; Ozawa, Fumiyuki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1713
• a: 15.746 ± 0.002 Å
• b: 16.859 ± 0.002 Å
• c: 19.937 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5292.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.627
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No