Information card for entry 7708820

Structure parameters

• Chemical name: ([P2N2H]Rh(H)(μ-H)2Cu)2
• Formula: C62 H108 Cu2 N4 P4 Rh2 Si8
• Calculated formula: C62 H108 Cu2 N4 P4 Rh2 Si8
• Title of publication: Heterobimetallic complexes stabilized by the P2N2 macrocyclic ligand system: synthesis and reactivity of a rhodium–copper system that activates molecular hydrogen
• Authors of publication: Xie, Siyuan L.; Sanz, Corey A.; Fryzuk, Michael D.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 33.949 ± 0.003 Å
• b: 13.5303 ± 0.001 Å
• c: 21.6795 ± 0.0017 Å
• α: 90°
• β: 128.415 ± 0.001°
• γ: 90°
• Cell volume: 7802.6 ± 1.1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No