Information card for entry 7011013

Structure parameters

• Formula: C127 H95 Ag16 Ni24 O43.5 P4
• Calculated formula: C127 H95 Ag16 Ni24 O43.5 P4
• Title of publication: First-known high-nuclearity silver‒nickel carbonyl cluster: nanosized [Ag16Ni24(CO)40]4− possessing a new 40-atom cubic Td closed-packed metal-core geometry
• Authors of publication: Jianming Zhang; Lawrence F. Dahl
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1269 - 1274
• a: 20.0344 ± 0.0006 Å
• b: 26.3787 ± 0.0006 Å
• c: 30.2923 ± 0.0008 Å
• α: 90°
• β: 92.933 ± 0.002°
• γ: 90°
• Cell volume: 15987.9 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1688
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No