Information card for entry 7041896

Structure parameters

• Formula: C27 H39 Au N2 O2 P
• Calculated formula: C27 H39 Au N2 O2 P
• SMILES: [Au]([P](c1ccccc1c1ccccc1)(C(C)(C)C)C(C)(C)C)C1=N(=O)C(C([N]1=O)(C)C)(C)C
• Title of publication: An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.
• Authors of publication: Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2653 - 2659
• a: 17.39 ± 0.017 Å
• b: 9.52 ± 0.009 Å
• c: 17.974 ± 0.018 Å
• α: 90°
• β: 114.28 ± 0.013°
• γ: 90°
• Cell volume: 2712 ± 5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No