Information card for entry 7018359

Structure parameters

• Formula: C63.96 H88 N4 Ni16.96 O25.3
• Calculated formula: C63.9573 H88 N4 Ni16.9573 O25.2907
• 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: 38.2056 ± 0.0015 Å
• b: 14.5054 ± 0.0006 Å
• c: 22.9812 ± 0.0009 Å
• α: 90°
• β: 93.982 ± 0.001°
• γ: 90°
• Cell volume: 12705.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No