Information card for entry 4346036

Structure parameters

• Formula: C24 H12 O12 Re3 Sb
• Calculated formula: C24 H12 O12 Re3 Sb
• SMILES: [Re]1([Sb]([Re](C#[O])(C#[O])(C#[O])(C#[O])[H][Re](C#[O])(C#[O])(C#[O])(C#[O])[H]1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).
• Authors of publication: Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3536 - 3544
• a: 13.6204 ± 0.0008 Å
• b: 19.0089 ± 0.0012 Å
• c: 20.2437 ± 0.0013 Å
• α: 99.87 ± 0.001°
• β: 106.934 ± 0.001°
• γ: 109.933 ± 0.001°
• Cell volume: 4495 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No