Information card for entry 1550502

Structure parameters

• Formula: C62 H80 Na2 O15 P2
• Calculated formula: C62 H80 Na2 O15 P2
• SMILES: c1(O[Na]23[O]4CCOCCOCC[O]3CCOCC[O]2CC4)cc(cc(c2ccccc2)p1)c1ccccc1.O1CCCC1
• Title of publication: Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes
• Authors of publication: Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 27.5839 ± 0.001 Å
• b: 9.1559 ± 0.0002 Å
• c: 28.119 ± 0.0011 Å
• α: 90°
• β: 121.726 ± 0.005°
• γ: 90°
• Cell volume: 6040.4 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No