Information card for entry 7053511

Structure parameters

• Formula: C68 H82 O2 P2 Pt
• Calculated formula: C68 H82 O2 P2 Pt
• SMILES: [Pt]12([P](=C3C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=C3c1ccccc1)c1ccccc1)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 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: 9.264 ± 0.002 Å
• b: 16.459 ± 0.004 Å
• c: 20.29 ± 0.005 Å
• α: 97.529 ± 0.005°
• β: 91.894 ± 0.005°
• γ: 91.27 ± 0.005°
• Cell volume: 3064.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No