Information card for entry 7706989

Structure parameters

• Formula: C52 H96 Cl2 N4 Ni4 O17
• Calculated formula: C52 H96 Cl2 N4 Ni4 O17
• Title of publication: The structural manipulation of a series of Ni₄ defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses.
• Authors of publication: Woodhouse, Sidney S.; Dais, Tyson N.; Payne, Emily H.; Singh, Mukesh K.; Brechin, Euan K.; Plieger, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5318 - 5326
• a: 13.3361 ± 0.0006 Å
• b: 13.8643 ± 0.0007 Å
• c: 17.3381 ± 0.0012 Å
• α: 90°
• β: 90.34°
• γ: 90°
• Cell volume: 3205.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No