Information card for entry 7020701

Structure parameters

• Formula: C85.65 H76 Cu2 N8 Ni29.65 O33.66
• Calculated formula: C85.651 H76 Cu2 N8 Ni29.651 O33.651
• 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: 14.2042 ± 0.0009 Å
• b: 14.8781 ± 0.001 Å
• c: 28.1762 ± 0.0018 Å
• α: 89.414 ± 0.001°
• β: 89.103 ± 0.001°
• γ: 62.473 ± 0.001°
• Cell volume: 5279.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No