Information card for entry 2012784

Structure parameters

• Chemical name: Tetrakis(μ-3,4,5-triethoxybenzoato-κ^2^O:O')bis[(pyrazine- κN)rhodium(II)](Rh-Rh)
• Formula: C60 H76 N4 O20 Rh2
• Calculated formula: C60 H76 N4 O20 Rh2
• SMILES: C1(c2cc(c(c(c2)OCC)OCC)OCC)=[O][Rh]234([n]5ccncc5)OC(c5cc(c(c(c5)OCC)OCC)OCC)=[O][Rh]2(O1)([n]1ccncc1)([O]=C(c1cc(c(c(c1)OCC)OCC)OCC)O3)OC(c1cc(c(c(c1)OCC)OCC)OCC)=[O]4
• Title of publication: A pyrazine bis-adduct of a binuclear rhodium(II) carboxylate containing 3,4,5-triethoxybenzoate as the equatorial ligand
• Authors of publication: Castro, Maria Ana; Chaia, Zulema D.; Piro, Oscar E.; Cukiernik, Fabio D.; Castellano, Eduardo E.; Rusjan, Marcia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m393 - m395
• a: 7.78 ± 0.001 Å
• b: 13.056 ± 0.001 Å
• c: 15.245 ± 0.001 Å
• α: 97.04 ± 0.01°
• β: 93.48 ± 0.01°
• γ: 94.23 ± 0.01°
• Cell volume: 1528.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.087
• 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