Information card for entry 1543591

Structure parameters

• Common name: Integration of Bak034
• Formula: C34 H54 Cl4 N8 O18 Rh2
• Calculated formula: C34 H54 Cl4 N8 O18 Rh2
• SMILES: [Rh]123(Cc4ccccc4)([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)OCl(=O)(=O)=O.[Rh]123(Cc4ccccc4)([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Preparation and reactivity of macrocyclic rhodium(III) alkyl complexes
• Authors of publication: Jack M. Carraher; Arkady Ellern; Andreja Bakac
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 254 - 258
• a: 16.7567 ± 0.0009 Å
• b: 18.9758 ± 0.001 Å
• c: 15.5961 ± 0.0008 Å
• α: 90°
• β: 104.698 ± 0.001°
• γ: 90°
• Cell volume: 4796.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1079
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes