Information card for entry 4072214

Structure parameters

• Formula: C64 H62 Cl5 O3 Rh3
• Calculated formula: C64 H62 Cl5 O3 Rh3
• SMILES: [Rh]12345([Cl][Rh]6789%10([Cl]1)[Cl][Rh]1%11%12%13(O[c]%146[c]7([c]8([c]9([c]%10%14CC)c6ccccc6)c6ccccc6)CC)[C]6(=O)[C]1(=[C]%11([C]%12(=[C]%136CC)c1ccccc1)c1ccccc1)CC)[C]1(=O)[C]2(=[C]3([C]4(=[C]51CC)c1ccccc1)c1ccccc1)CC.ClCCl
• 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: 12.1598 ± 0.0009 Å
• b: 13.6567 ± 0.0012 Å
• c: 20.194 ± 0.002 Å
• α: 90.772 ± 0.008°
• β: 97.825 ± 0.008°
• γ: 111.784 ± 0.008°
• Cell volume: 3077.5 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1569
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No