Information card for entry 7703930

Structure parameters

• Formula: C95 H129 N9 Ni28.91 O42 Pd6.09
• Calculated formula: C94.9998 H129 N9 Ni28.914 O42 Pd6.086
• Title of publication: Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni_22-xPd_20+x(CO)₄₈]^6- (x = 0.62), [Ni_29-xPd_6+x(CO)₄₂]^6- (x = 0.09) and [Ni_29+xPd_6-x(CO)₄₂]^6- (x = 0.27).
• Authors of publication: Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5513 - 5522
• a: 18.0295 ± 0.0015 Å
• b: 18.0295 ± 0.0015 Å
• c: 23.386 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6583.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No