Information card for entry 7009949

Structure parameters

• Formula: C131 H81.5 N0.5 Ni13 O34 P4 Pd13
• Calculated formula: C131 H81.5 N0.5 Ni13 O34 P4 Pd13
• Title of publication: High-nuclearity [Pd13Ni13(CO)34]4− containing a 26-atom Pd13Ni13 core with an unprecedented five-layer close-packed triangular stacking geometry: possible substitutional Pd/Ni crystal disorder at specific intralayer nickel sites †
• Authors of publication: Tran, Nguyet T.; Kawano, Masaki; Powell, Douglas R.; Dahl, Lawrence F.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4138
• a: 17.206 ± 0.002 Å
• b: 18.04 ± 0.002 Å
• c: 22.93 ± 0.003 Å
• α: 82.32 ± 0.002°
• β: 87.301 ± 0.002°
• γ: 70.26 ± 0.002°
• Cell volume: 6639 ± 1.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No