Information card for entry 7053515

Structure parameters

• Formula: C55 H74 Cl2 O P2 Pt
• Calculated formula: C55 H74 Cl2 O P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P](=C2C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=C2c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.C(=O)(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: 19.008 ± 0.009 Å
• b: 14.477 ± 0.004 Å
• c: 19.693 ± 0.006 Å
• α: 90°
• β: 111.193 ± 0.004°
• γ: 90°
• Cell volume: 5053 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No