Information card for entry 4346037

Structure parameters

• Formula: C36 H21 O12 Re3 Sb2
• Calculated formula: C36 H21 O12 Re3 Sb2
• SMILES: [Re]1([Sb]([Re](C#[O])(C#[O])(C#[O])(C#[O])[H][Re]([Sb]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(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: 16.0769 ± 0.0007 Å
• b: 17.2298 ± 0.0007 Å
• c: 18.7642 ± 0.0008 Å
• α: 100.11 ± 0.001°
• β: 107.714 ± 0.001°
• γ: 117.632 ± 0.001°
• Cell volume: 4066.1 ± 0.3 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: 0.0828
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No