Information card for entry 7103216

Structure parameters

• Formula: C61.5 H63 Br0 Cl N3 Ni22 O28.5
• Calculated formula: C61.5 H63 Cl N3 Ni22 O28.5
• Title of publication: Polycarbide nickel clusters containing interstitial Ni(eta2-C2)4 and Ni2(micro-eta2-C2)4 acetylide moieties: mimicking the supersaturated Ni-C solutions preceding the catalytic growth of CNTs with the structures of [HNi25(C2)4(CO)32]3- and [Ni22(C2)4(CO)28Cl]3-.
• Authors of publication: Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3157 - 3159
• a: 13.679 ± 0.0016 Å
• b: 23.876 ± 0.003 Å
• c: 27.991 ± 0.003 Å
• α: 65.368 ± 0.002°
• β: 82.239 ± 0.002°
• γ: 88.296 ± 0.002°
• Cell volume: 8230.1 ± 1.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1789
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No