Information card for entry 7020697

Structure parameters

• Formula: C63.56 H57.11 Cu2 N4 Ni29.33 O37.39
• Calculated formula: C63.564 H57.128 Cu2 N4 Ni29.328 O37.391
• Title of publication: Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.
• Authors of publication: Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 407 - 421
• a: 14.527 ± 0.003 Å
• b: 14.905 ± 0.003 Å
• c: 23.375 ± 0.004 Å
• α: 76.004 ± 0.002°
• β: 86.889 ± 0.002°
• γ: 78.607 ± 0.002°
• Cell volume: 4814.1 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No