Information card for entry 2239990

Structure parameters

• Chemical name: Tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)](<i>Re</i>—<i>Re</i>)
• Formula: C16 H28 Cl2 O8 Re2
• Calculated formula: C16 H28 Cl2 O8 Re2
• SMILES: C1(CCC)=[O][Re]234(Cl)[O]=C(CCC)O[Re]4(O1)([O]=C(CCC)O2)([O]=C(CCC)O3)Cl
• Title of publication: Crystal structure of tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)](<i>Re</i>—<i>Re</i>)
• Authors of publication: Thomson, Michael P.; O'Rourke, Natasha F.; Wang, Ruiyao; Aquino, Manuel A. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: m349 - m350
• a: 6.7292 ± 0.0004 Å
• b: 12.0367 ± 0.0008 Å
• c: 14.6737 ± 0.0009 Å
• α: 90°
• β: 99.262 ± 0.001°
• γ: 90°
• Cell volume: 1173.04 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes