Information card for entry 4079268

Structure parameters

• Formula: C55 H50 Cl6 I2 O P2 Rh2 S2
• Calculated formula: C55 H50 Cl6 I2 O P2 Rh2 S2
• Title of publication: Steric Effects in the Oxidative Addition of MeI to a Sulfido-Bridged ZrRh2Early‒Late Heterobimetallic Compound
• Authors of publication: Nguyen, Duc Hanh; Modrego, F. Javier; Cetina-Casas, J. Miguel; Gómez-Bautista, Daniel; Jiménez, M. Victoria; Castarlenas, Ricardo; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6395
• a: 21.766 ± 0.0019 Å
• b: 10.8346 ± 0.0009 Å
• c: 23.806 ± 0.002 Å
• α: 90°
• β: 150.061 ± 0.001°
• γ: 90°
• Cell volume: 2801.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No