Information card for entry 1504970

Structure parameters

• Formula: C39 H32 As2 Cl3 O2 Rh
• Calculated formula: C39 H32 As2 Cl3 O2 Rh
• SMILES: [Rh](Cl)(Cl)(C(=O)CCl)(C#[O])([As](c1ccccc1)(c1ccccc1)c1ccccc1)[As](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.
• Authors of publication: Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5469 - 5472
• a: 12.108 ± 0.002 Å
• b: 17.388 ± 0.003 Å
• c: 17.465 ± 0.003 Å
• α: 90°
• β: 104.982 ± 0.002°
• γ: 90°
• Cell volume: 3552 ± 1 ų
• Cell temperature: 113.1 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: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No