Information card for entry 4072855

Structure parameters

• Formula: C95.5 H106 O2 P4 Rh2 S2 Zr
• Calculated formula: C94.5 H86 O2 P4 Rh2 S2 Zr
• Title of publication: Reversible Opening of the Triangular Structure of a Sulfido-Bridged ZrRh2Early−Late Heterobimetallic Complex Induced by Bis-(diphenylphosphino)methane
• Authors of publication: Hernandez-Gruel, Marc A. F.; Lahoz, Fernando J.; Dobrinovich, Isabel T.; Modrego, F. Javier; Oro, Luis A.; Pérez-Torrente, Jesús J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2616
• a: 13.5217 ± 0.0013 Å
• b: 14.9233 ± 0.0014 Å
• c: 23.258 ± 0.002 Å
• α: 97.01 ± 0.002°
• β: 99.872 ± 0.002°
• γ: 101.853 ± 0.002°
• Cell volume: 4464.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No