Information card for entry 7709305

Structure parameters

• Chemical name: 1,2-bis(2-(2,4-6-tri-tert-butylphenyl)diphosphenyl)-[1,1'-binaphthalen]-3-yl)ethane
• Formula: C92 H102 P4
• Calculated formula: C92 H102 P4
• SMILES: P(=P/c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)\c1c(c2ccccc2cc1CCc1c(/P=P/c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)c(c2c(c1)cccc2)c1cccc2c1cccc2)c1cccc2c1cccc2.c1(ccccc1)C.c1ccccc1C
• Title of publication: Palladium(II) Complexes of Bis(diphosphene) with the Different Coordination Behavior
• Authors of publication: Ura, Rikako; Tsurusaki, Akihiro; Kamikawa, Ken
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.603 ± 0.004 Å
• b: 13.87 ± 0.005 Å
• c: 13.974 ± 0.005 Å
• α: 101.884 ± 0.004°
• β: 96.491 ± 0.002°
• γ: 105.675 ± 0.002°
• Cell volume: 1904.9 ± 1.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No