Information card for entry 4310684

Structure parameters

• Formula: C64 H76 Cl24 N8 O8 Rh4
• Calculated formula: C64 H76 Cl24 N8 O8 Rh4
• SMILES: c1c2C(=O)O[Rh]34567([c]8([c]4(C)[c]3([c]6([c]58C)C)C)C)n2c[n]1[Rh]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)n1c[n](cc1C(=O)O5)[Rh]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)n1c[n](cc1C(=O)O5)[Rh]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)n1c[n]7cc1C(=O)O5.C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes
• Authors of publication: Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1609 - 1617
• a: 16.8483 ± 0.0006 Å
• b: 16.8483 ± 0.0006 Å
• c: 16.5554 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4699.5 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No