Information card for entry 4328993

Structure parameters

• Chemical name: tetra-(4-ethoxycarbonyl benzoate)- bis-acetone- dirhodium (II,II),hexane solvate
• Formula: C52 H62 O18 Rh2
• Calculated formula: C52 H62 O18 Rh2
• SMILES: C1(=[O][Rh]234([O]=C(c5ccc(cc5)C(=O)OCC)O[Rh]4([O]=C(O3)c3ccc(cc3)C(=O)OCC)([O]=C(c3ccc(cc3)C(=O)OCC)O2)(O1)[O]=C(C)C)[O]=C(C)C)c1ccc(cc1)C(=O)OCC.CCCCCC
• Title of publication: Dirhodium Paddlewheel with Functionalized Carboxylate Bridges: New Building Block for Self-Assembly and Immobilization on Solid Support
• Authors of publication: D. Krishna Kumar; Alexander S. Filatov; Margaret Napier; Jinyu Sun; Evgeny V. Dikarev; Marina A. Petrukhina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4855 - 4861
• a: 9.8635 ± 0.0013 Å
• b: 13.1392 ± 0.0017 Å
• c: 20.333 ± 0.003 Å
• α: 90°
• β: 94.94 ± 0.002°
• γ: 90°
• Cell volume: 2625.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No