Information card for entry 2241283

Structure parameters

• Common name: brocr02
• Chemical name: Tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)]
• Formula: C20 H34 Cl2 N2 O8 Re2
• Calculated formula: C20 H34 Cl2 N2 O8 Re2
• SMILES: C1(CCC)=[O][Re]234(Cl)[O]=C(CCC)O[Re]4(O1)([O]=C(CCC)O3)([O]=C(CCC)O2)Cl.C(#N)C.C(#N)C
• Title of publication: The crystal structures of tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[bromidorhenium(III)] and tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)] acetonitrile disolvate
• Authors of publication: Reed, Carly R.; Brennessel, William W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1480 - 1484
• a: 8.5589 ± 0.0013 Å
• b: 17.097 ± 0.003 Å
• c: 10.0494 ± 0.0015 Å
• α: 90°
• β: 105.83 ± 0.003°
• γ: 90°
• Cell volume: 1414.8 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes