Information card for entry 4072217

Structure parameters

• Formula: C99 H72 Cl3 N6 O3 Rh3
• Calculated formula: C99 H72 Cl3 N6 O3 Rh3
• SMILES: [Rh]123456([Cl][Rh]789%10([Cl]1)([Cl]2)[C]1(=O)[C]7(=[C]28[C]9(=[C]%101c1ccccc1)c1c(c7c2cccc7)cccc1)c1ccccc1)[C]1(=O)[C]3(=[C]24[C]5(=[C]61c1ccccc1)c1c(c3c2cccc3)cccc1)c1ccccc1.[Rh]1234([N]#CC)([N]#CC)([N]#CC)[C]5(=O)[C]1(=[C]12c2c(c6c([C]31=[C]45c1ccccc1)cccc6)cccc2)c1ccccc1.N#CC.N#CC.N#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: 11.7647 ± 0.0003 Å
• b: 18.6753 ± 0.0007 Å
• c: 20.0806 ± 0.0006 Å
• α: 69.319 ± 0.003°
• β: 89.865 ± 0.002°
• γ: 81.665 ± 0.003°
• Cell volume: 4078.3 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No