Information card for entry 4072216

Structure parameters

• Formula: C46 H46 Cl2 N2 O2 Rh2
• Calculated formula: C46 H46 Cl2 N2 O2 Rh2
• SMILES: [Rh]12345([Cl][Rh]6789([Cl]1)([N]#CC)[C]1(=O)[C]6(=[C]7([C]8(=[C]91CC)c1ccccc1)c1ccccc1)CC)([N]#CC)[C]1(=O)[C]2(=[C]3([C]4(=[C]51CC)c1ccccc1)c1ccccc1)CC
• Title of publication: The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers
• Authors of publication: Rechavi, Dalit; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5978
• a: 18.823 ± 0.002 Å
• b: 9.3966 ± 0.0017 Å
• c: 23.578 ± 0.005 Å
• α: 90°
• β: 95.544 ± 0.014°
• γ: 90°
• Cell volume: 4150.8 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.1044
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No