Information card for entry 4515890

Structure parameters

• Formula: C79 H36 Co15 O38 P2 Pd9
• Calculated formula: C79 H35.9994 Co15 O38 P2 Pd9
• Title of publication: Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo₁₅Pd₉C₃(CO)₃₈]^2- Molecular Nanocluster.
• Authors of publication: Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 13239 - 13250
• a: 18.8375 ± 0.0014 Å
• b: 18.8375 ± 0.0014 Å
• c: 22.4956 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6913.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No