Information card for entry 4323197

Structure parameters

• Formula: C39 H36 Cu N O2 P2
• Calculated formula: C39 H36 Cu N O2 P2
• SMILES: c1(ccccc1)[P](c1ccccc1)([Cu]1([O]=N(=C(C)C)O1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Copper-Mediated Oxygenation of Nitronate to Nitrite and Acetone in a Copper(I) Nitronate Complex
• Authors of publication: Éva Balogh-Hergovich; Gábor Speier; Gottfried Huttner; László Zsolnai
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6535 - 6537
• a: 15.28 ± 0.008 Å
• b: 9.804 ± 0.007 Å
• c: 22.783 ± 0.011 Å
• α: 90°
• β: 101.15 ± 0.04°
• γ: 90°
• Cell volume: 3349 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 6
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.1546
• Weighted residual factors for significantly intense reflections: 0.1458
• Goodness-of-fit parameter for all reflections: 1.325
• Goodness-of-fit parameter for significantly intense reflections: 1.397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No