Information card for entry 7018361

Structure parameters

• Formula: C59.1 H80 N4 Ni16.12 O23.1
• Calculated formula: C59.0979 H80 N4 Ni16.1229 O23.0979
• Title of publication: Nickel poly-acetylide carbonyl clusters: structural features, bonding and electrochemical behaviour.
• Authors of publication: Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Fedi, Serena; Fabrizi de Biani, Fabrizia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4649 - 4663
• a: 15.9735 ± 0.0018 Å
• b: 20.278 ± 0.002 Å
• c: 22.581 ± 0.003 Å
• α: 90.761 ± 0.002°
• β: 90.881 ± 0.002°
• γ: 92.375 ± 0.002°
• Cell volume: 7306.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No